(1-methyl-4-methyliminopyrrolidin-3-yl)methanamine

C7H15N3 — CID 91278205

IUPAC(1-methyl-4-methyliminopyrrolidin-3-yl)methanamine
SMILESC/N=C1\CN(C)CC1CN
InChIInChI=1S/C7H15N3/c1-9-7-5-10(2)4-6(7)3-8/h6H,3-5,8H2,1-2H3/b9-7+
InChIKeyMBDWKCITPXSYER-VQHVLOKHSA-N
MW141.22 g/mol
LogP-0.42
Rot. Bonds1

About (1-methyl-4-methyliminopyrrolidin-3-yl)methanamine

(1-methyl-4-methyliminopyrrolidin-3-yl)methanamine (PubChem CID 91278205) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (1-methyl-4-methyliminopyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-4-methyliminopyrrolidin-3-yl)methanamine
PubChem CID91278205
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(1-methyl-4-methyliminopyrrolidin-3-yl)methanamine
SMILESC/N=C1\CN(C)CC1CN
InChIInChI=1S/C7H15N3/c1-9-7-5-10(2)4-6(7)3-8/h6H,3-5,8H2,1-2H3/b9-7+
InChIKeyMBDWKCITPXSYER-VQHVLOKHSA-N
XLogP-0.42
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4-Methyliminopyrrolidin-1-ium-3-yl)methylazanium
CID 20633763
(4-Methyliminopyrrolidin-3-yl)methanamine
CID 20633764
1-Methyl-4-methyliminopyrrolidin-3-amine
CID 20763640
1-(3-Methylbutyl)pyrrolidin-3-imine
CID 57218168
[(4Z)-4-methoxyimino-1-methylpyrrolidin-3-yl]methanamine
CID 57999525
4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine
CID 58010765
4-ethyl-N-methylpyrrolidin-3-imine
CID 58961674
N,4-dimethylpyrrolidin-3-imine
CID 59024451
4-Methylpyrrolidin-3-imine
CID 70149418
(4-Methoxyimino-1-methylpyrrolidin-3-yl)methanamine
CID 76700632
N-ethyl-4-methylpyrrolidin-3-imine
CID 90948336
Dimethyl(pyrrolidin-3-ylmethylidene)azanium
CID 91358059

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-methyliminopyrrolidin-3-yl)methanamine?
The IUPAC name of (1-methyl-4-methyliminopyrrolidin-3-yl)methanamine (CID 91278205) is (1-methyl-4-methyliminopyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1-methyl-4-methyliminopyrrolidin-3-yl)methanamine?
The canonical SMILES for (1-methyl-4-methyliminopyrrolidin-3-yl)methanamine is C/N=C1\CN(C)CC1CN.
What is the InChIKey of (1-methyl-4-methyliminopyrrolidin-3-yl)methanamine?
The InChIKey is MBDWKCITPXSYER-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H15N3/c1-9-7-5-10(2)4-6(7)3-8/h6H,3-5,8H2,1-2H3/b9-7+.
What are the key properties of (1-methyl-4-methyliminopyrrolidin-3-yl)methanamine?
(1-methyl-4-methyliminopyrrolidin-3-yl)methanamine has a molecular weight of 141.22 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-methyliminopyrrolidin-3-yl)methanamine is sourced from PubChem (CID 91278205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).