(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine

C11H24N2 — CID 164836687

IUPAC(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)CN1CC[C@H](NC(C)C)C1
InChIInChI=1S/C11H24N2/c1-9(2)7-13-6-5-11(8-13)12-10(3)4/h9-12H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyDFOYSVQHURCZQD-NSHDSACASA-N
MW184.33 g/mol
LogP1.71
Rot. Bonds4

About (3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine

(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 164836687) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
PubChem CID164836687
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)CN1CC[C@H](NC(C)C)C1
InChIInChI=1S/C11H24N2/c1-9(2)7-13-6-5-11(8-13)12-10(3)4/h9-12H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyDFOYSVQHURCZQD-NSHDSACASA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetonitrile
CID 170381955
1-(2-fluoropropyl)-N-propan-2-ylpiperidin-4-amine
CID 167648403
(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine
CID 167253643
1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
CID 83981088
1-[2-(dimethylamino)ethyl]-N-propan-2-ylpiperidin-4-amine
CID 129189230
N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine
CID 176629357
3-chloro-1-(2-methylpropyl)pyrrolidine
CID 19819767
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
N-(cyclobutylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115713249
tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate
CID 75993976
N-propan-2-yl-1-prop-2-enylpiperidin-3-amine
CID 83696638

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine (CID 164836687) is (3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine is CC(C)CN1CC[C@H](NC(C)C)C1.
What is the InChIKey of (3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is DFOYSVQHURCZQD-NSHDSACASA-N. The full InChI is InChI=1S/C11H24N2/c1-9(2)7-13-6-5-11(8-13)12-10(3)4/h9-12H,5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of (3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine?
(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 184.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 164836687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).