(3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine

C17H37N3 — CID 159904713

IUPAC(3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine
SMILESCC(C)(C)N1CC[C@H](N)C1.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C9H19N.C8H18N2/c1-8-5-6-10(7-8)9(2,3)4;1-8(2,3)10-5-4-7(9)6-10/h8H,5-7H2,1-4H3;7H,4-6,9H2,1-3H3/t8-;7-/m00/s1
InChIKeyNWKOWPCVFJROGW-GZTXQBDSSA-N
MW283.50 g/mol
LogP2.94
Rot. Bonds

About (3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine

(3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine (PubChem CID 159904713) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine
PubChem CID159904713
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name(3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine
SMILESCC(C)(C)N1CC[C@H](N)C1.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C9H19N.C8H18N2/c1-8-5-6-10(7-8)9(2,3)4;1-8(2,3)10-5-4-7(9)6-10/h8H,5-7H2,1-4H3;7H,4-6,9H2,1-3H3/t8-;7-/m00/s1
InChIKeyNWKOWPCVFJROGW-GZTXQBDSSA-N
XLogP2.94
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-amine
CID 159962975
(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine
CID 166567380
1-(2-methylbutan-2-yl)pyrrolidin-3-amine
CID 43315387
bis(1-tert-butyl-3-methylazetidine);bis(3-tert-butyl-1-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane
CID 167612947
bis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-propan-2-ylpiperidine;1,4-ditert-butylpiperidine;ethane
CID 167673709
6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine
CID 155187142
(3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane
CID 158476670
(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol
CID 90286839
(1-tert-butylazepan-3-yl)methanamine
CID 84659780
4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine
CID 160991288
N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 94464287
4-[(1-tert-butylpyrrolidin-3-yl)methyl]-1-methylpiperidine
CID 159520791

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine (CID 159904713) is (3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine is CC(C)(C)N1CC[C@H](N)C1.C[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of (3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine?
The InChIKey is NWKOWPCVFJROGW-GZTXQBDSSA-N. The full InChI is InChI=1S/C9H19N.C8H18N2/c1-8-5-6-10(7-8)9(2,3)4;1-8(2,3)10-5-4-7(9)6-10/h8H,5-7H2,1-4H3;7H,4-6,9H2,1-3H3/t8-;7-/m00/s1.
What are the key properties of (3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine?
(3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine has a molecular weight of 283.50 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine is sourced from PubChem (CID 159904713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).