(3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane

C32H71N5O — CID 158476670

IUPAC(3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CC[C@@H](N)C1.CC(C)(C)N1CC[C@@H](O)C1.CCC.C[C@H]1CCNC1
InChIInChI=1S/C8H18N2.C8H17NO.C8H17N.C5H11N.C3H8/c1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7-9;1-5-2-3-6-4-5;1-3-2/h7H,4-6,9H2,1-3H3;7,10H,4-6H2,1-3H3;4-7H2,1-3H3;5-6H,2-4H2,1H3;3H2,1-2H3/t2*7-;;5-;/m11.0./s1
InChIKeyHHAFVBVUFSQLPE-CBBVBDFLSA-N
MW541.95 g/mol
LogP5.58
Rot. Bonds

About (3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane

(3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane (PubChem CID 158476670) has the molecular formula C32H71N5O and a molecular weight of 541.95 g/mol. Its IUPAC name is (3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane.

Molecular Properties

Compound Name(3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane
PubChem CID158476670
Molecular FormulaC32H71N5O
Molecular Weight541.95 g/mol
Exact Mass541.57
IUPAC Name(3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CC[C@@H](N)C1.CC(C)(C)N1CC[C@@H](O)C1.CCC.C[C@H]1CCNC1
InChIInChI=1S/C8H18N2.C8H17NO.C8H17N.C5H11N.C3H8/c1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7-9;1-5-2-3-6-4-5;1-3-2/h7H,4-6,9H2,1-3H3;7,10H,4-6H2,1-3H3;4-7H2,1-3H3;5-6H,2-4H2,1H3;3H2,1-2H3/t2*7-;;5-;/m11.0./s1
InChIKeyHHAFVBVUFSQLPE-CBBVBDFLSA-N
XLogP5.58
TPSA68.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.95
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane with MolForge

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Related Compounds

(3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine
CID 159904713
2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine
CID 161063837
(6S)-1-tert-butyl-6-methyl-1,4-diazepane
CID 94238222
4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-amine
CID 159962975
(1-tert-butylazepan-3-yl)methanamine
CID 84659780
1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156
1-(2-methylbutan-2-yl)pyrrolidin-3-amine
CID 43315387
1-tert-butylazocan-5-ol
CID 137410769
(3S)-1-(2-methylpentan-2-yl)piperidin-3-ol
CID 130272331
3-methylpyrrolidine;phosphinous acid
CID 142914115
ethane;methanol;3-methylpyrrolidine
CID 143573656
(3R)-1-tert-butyl-3-propylpiperidine
CID 171581901

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane?
The IUPAC name of (3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane (CID 158476670) is (3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane.
What is the SMILES notation for (3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane?
The canonical SMILES for (3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane is CC(C)(C)N1CCCC1.CC(C)(C)N1CC[C@@H](N)C1.CC(C)(C)N1CC[C@@H](O)C1.CCC.C[C@H]1CCNC1.
What is the InChIKey of (3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane?
The InChIKey is HHAFVBVUFSQLPE-CBBVBDFLSA-N. The full InChI is InChI=1S/C8H18N2.C8H17NO.C8H17N.C5H11N.C3H8/c1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)9-5-4-7(10)6-9;1-8(2,3)9-6-4-5-7-9;1-5-2-3-6-4-5;1-3-2/h7H,4-6,9H2,1-3H3;7,10H,4-6H2,1-3H3;4-7H2,1-3H3;5-6H,2-4H2,1H3;3H2,1-2H3/t2*7-;;5-;/m11.0./s1.
What are the key properties of (3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane?
(3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane has a molecular weight of 541.95 g/mol, XLogP of 5.58, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane is sourced from PubChem (CID 158476670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).