(4S)-N,N,4-trimethylpyrrolidin-3-amine

C7H16N2 — CID 142439406

IUPAC(4S)-N,N,4-trimethylpyrrolidin-3-amine
SMILESC[C@H]1CNCC1N(C)C
InChIInChI=1S/C7H16N2/c1-6-4-8-5-7(6)9(2)3/h6-8H,4-5H2,1-3H3/t6-,7?/m0/s1
InChIKeyWPWPUGYLNCMHFP-PKPIPKONSA-N
MW128.22 g/mol
LogP0.16
Rot. Bonds1

About (4S)-N,N,4-trimethylpyrrolidin-3-amine

(4S)-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 142439406) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (4S)-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(4S)-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID142439406
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(4S)-N,N,4-trimethylpyrrolidin-3-amine
SMILESC[C@H]1CNCC1N(C)C
InChIInChI=1S/C7H16N2/c1-6-4-8-5-7(6)9(2)3/h6-8H,4-5H2,1-3H3/t6-,7?/m0/s1
InChIKeyWPWPUGYLNCMHFP-PKPIPKONSA-N
XLogP0.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
2-[methyl-(4-methylpyrrolidin-3-yl)amino]acetamide
CID 81460239
N-cyclohexyl-N,4-dimethylpyrrolidin-3-amine
CID 81460081
N-(2,2-dimethylpropyl)-N,4-dimethylpyrrolidin-3-amine
CID 81459485
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828
(3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine
CID 99866729
(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol
CID 156809597
tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid
CID 146156377
N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine
CID 81459205
N-methyl-3-[methyl-(4-methylpyrrolidin-3-yl)amino]propanamide
CID 106918820
4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 81460086
N-ethyl-N,3,5-trimethylpiperidin-4-amine
CID 165468899

Frequently Asked Questions

What is the IUPAC name of (4S)-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of (4S)-N,N,4-trimethylpyrrolidin-3-amine (CID 142439406) is (4S)-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for (4S)-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for (4S)-N,N,4-trimethylpyrrolidin-3-amine is C[C@H]1CNCC1N(C)C.
What is the InChIKey of (4S)-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is WPWPUGYLNCMHFP-PKPIPKONSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-4-8-5-7(6)9(2)3/h6-8H,4-5H2,1-3H3/t6-,7?/m0/s1.
What are the key properties of (4S)-N,N,4-trimethylpyrrolidin-3-amine?
(4S)-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 128.22 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 142439406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).