ethane;(3-methylpyrrolidin-2-yl)methanamine

C8H20N2 — CID 177053684

IUPACethane;(3-methylpyrrolidin-2-yl)methanamine
SMILESCC.CC1CCNC1CN
InChIInChI=1S/C6H14N2.C2H6/c1-5-2-3-8-6(5)4-7;1-2/h5-6,8H,2-4,7H2,1H3;1-2H3
InChIKeyPZRSVWHEUHBEQK-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.97
Rot. Bonds1

About ethane;(3-methylpyrrolidin-2-yl)methanamine

ethane;(3-methylpyrrolidin-2-yl)methanamine (PubChem CID 177053684) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is ethane;(3-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Nameethane;(3-methylpyrrolidin-2-yl)methanamine
PubChem CID177053684
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Nameethane;(3-methylpyrrolidin-2-yl)methanamine
SMILESCC.CC1CCNC1CN
InChIInChI=1S/C6H14N2.C2H6/c1-5-2-3-8-6(5)4-7;1-2/h5-6,8H,2-4,7H2,1H3;1-2H3
InChIKeyPZRSVWHEUHBEQK-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;(3-methylpyrrolidin-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3R)-3-methylpyrrolidin-2-yl]methanol
CID 66599997
N,N-dimethyl-1-(3-methylpyrrolidin-2-yl)methanamine
CID 103846085
2-(3-methylpyrrolidin-2-yl)ethanol
CID 55286766
2,3-dimethylpyrrolidine;ethane
CID 90972313
1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole
CID 126996409
1-(2-methylcyclopropyl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine
CID 102776216
2-methoxy-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
CID 102775761
(3,4-dimethylpyrrolidin-2-yl)methanamine
CID 89431621
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]cyclopentanamine
CID 102775591
3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine
CID 102776073
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen
CID 170747493
2-methoxy-N-[(3-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102776271

Frequently Asked Questions

What is the IUPAC name of ethane;(3-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of ethane;(3-methylpyrrolidin-2-yl)methanamine (CID 177053684) is ethane;(3-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for ethane;(3-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for ethane;(3-methylpyrrolidin-2-yl)methanamine is CC.CC1CCNC1CN.
What is the InChIKey of ethane;(3-methylpyrrolidin-2-yl)methanamine?
The InChIKey is PZRSVWHEUHBEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2H6/c1-5-2-3-8-6(5)4-7;1-2/h5-6,8H,2-4,7H2,1H3;1-2H3.
What are the key properties of ethane;(3-methylpyrrolidin-2-yl)methanamine?
ethane;(3-methylpyrrolidin-2-yl)methanamine has a molecular weight of 144.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 177053684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).