(1,3-dimethylpyrrolidin-3-yl)methanamine

C7H16N2 — CID 18712661

IUPAC(1,3-dimethylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(C)(CN)C1
InChIInChI=1S/C7H16N2/c1-7(5-8)3-4-9(2)6-7/h3-6,8H2,1-2H3
InChIKeyHBEGEQPEVWXGGD-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.29
Rot. Bonds1

About (1,3-dimethylpyrrolidin-3-yl)methanamine

(1,3-dimethylpyrrolidin-3-yl)methanamine (PubChem CID 18712661) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (1,3-dimethylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrrolidin-3-yl)methanamine
PubChem CID18712661
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(1,3-dimethylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(C)(CN)C1
InChIInChI=1S/C7H16N2/c1-7(5-8)3-4-9(2)6-7/h3-6,8H2,1-2H3
InChIKeyHBEGEQPEVWXGGD-UHFFFAOYSA-N
XLogP0.29
TPSA29.26 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 ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Butylpyrrolidin-3-yl)methanamine
CID 24275255
beta,beta-Dimethyl-1-pyrrolidinepropanamine
CID 45088486
N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine
CID 14086165
(1-Methylpyrrolidin-3-yl)methanamine
CID 17389965
(1-Ethylpyrrolidin-3-yl)methanamine
CID 15028164
Methyl[(1-methylpyrrolidin-3-yl)methyl]amine
CID 15021556
[1-(2-Methylpropyl)pyrrolidin-3-yl]methanamine
CID 17998746
(1-Propylpyrrolidin-3-yl)methanamine
CID 24275254
(R)-N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine
CID 26368555
dimethyl({[(3S)-pyrrolidin-3-yl]methyl})amine
CID 26368557
(S)-1-Methyl-3-(aminomethyl)pyrrolidine
CID 42579938
1-(1,3-Dimethylpyrrolidin-3-yl)-N-methylmethanamine
CID 45791027

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1,3-dimethylpyrrolidin-3-yl)methanamine (CID 18712661) is (1,3-dimethylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1,3-dimethylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1,3-dimethylpyrrolidin-3-yl)methanamine is CN1CCC(C)(CN)C1.
What is the InChIKey of (1,3-dimethylpyrrolidin-3-yl)methanamine?
The InChIKey is HBEGEQPEVWXGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(5-8)3-4-9(2)6-7/h3-6,8H2,1-2H3.
What are the key properties of (1,3-dimethylpyrrolidin-3-yl)methanamine?
(1,3-dimethylpyrrolidin-3-yl)methanamine has a molecular weight of 128.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 18712661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).