(3S)-N,N,1-trimethylpyrrolidin-3-amine

C7H16N2 — CID 59975379

IUPAC(3S)-N,N,1-trimethylpyrrolidin-3-amine
SMILESCN1CC[C@H](N(C)C)C1
InChIInChI=1S/C7H16N2/c1-8(2)7-4-5-9(3)6-7/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyIWNBQXFSYAIRCJ-ZETCQYMHSA-N
MW128.22 g/mol
LogP0.25
Rot. Bonds1

About (3S)-N,N,1-trimethylpyrrolidin-3-amine

(3S)-N,N,1-trimethylpyrrolidin-3-amine (PubChem CID 59975379) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (3S)-N,N,1-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N,N,1-trimethylpyrrolidin-3-amine
PubChem CID59975379
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(3S)-N,N,1-trimethylpyrrolidin-3-amine
SMILESCN1CC[C@H](N(C)C)C1
InChIInChI=1S/C7H16N2/c1-8(2)7-4-5-9(3)6-7/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyIWNBQXFSYAIRCJ-ZETCQYMHSA-N
XLogP0.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methanidyl-N,1-dimethylpyrrolidin-3-amine
CID 21039801
ethane;N,N,1-trimethylazetidin-3-amine
CID 145389782
(3R)-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine
CID 129222465
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
CID 115261820
ethane;N-methyl-N-(1-methylpyrrolidin-3-yl)formamide
CID 143070615
N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 83844779
1-(disulfanyl)-N,N-dimethylpyrrolidin-3-amine
CID 153223545
3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine
CID 130598367
N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
CID 118516090
2-methylbutane;N,N,1-trimethylpiperidin-4-amine
CID 142525400
1-N,3-N,3-N-trimethylpyrrolidine-1,3-diamine
CID 139373352

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N,1-trimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-N,N,1-trimethylpyrrolidin-3-amine (CID 59975379) is (3S)-N,N,1-trimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N,N,1-trimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N,N,1-trimethylpyrrolidin-3-amine is CN1CC[C@H](N(C)C)C1.
What is the InChIKey of (3S)-N,N,1-trimethylpyrrolidin-3-amine?
The InChIKey is IWNBQXFSYAIRCJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2/c1-8(2)7-4-5-9(3)6-7/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (3S)-N,N,1-trimethylpyrrolidin-3-amine?
(3S)-N,N,1-trimethylpyrrolidin-3-amine has a molecular weight of 128.22 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N,1-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 59975379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).