methane;(4-methyl-2H-pyrrol-5-yl)methanamine

C7H14N2 — CID 159280216

IUPACmethane;(4-methyl-2H-pyrrol-5-yl)methanamine
SMILESC.CC1=CCN=C1CN
InChIInChI=1S/C6H10N2.CH4/c1-5-2-3-8-6(5)4-7;/h2H,3-4,7H2,1H3;1H4
InChIKeyKYUWVPVFUFQIFD-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.98
Rot. Bonds1

About methane;(4-methyl-2H-pyrrol-5-yl)methanamine

methane;(4-methyl-2H-pyrrol-5-yl)methanamine (PubChem CID 159280216) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is methane;(4-methyl-2H-pyrrol-5-yl)methanamine.

Molecular Properties

Compound Namemethane;(4-methyl-2H-pyrrol-5-yl)methanamine
PubChem CID159280216
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namemethane;(4-methyl-2H-pyrrol-5-yl)methanamine
SMILESC.CC1=CCN=C1CN
InChIInChI=1S/C6H10N2.CH4/c1-5-2-3-8-6(5)4-7;/h2H,3-4,7H2,1H3;1H4
InChIKeyKYUWVPVFUFQIFD-UHFFFAOYSA-N
XLogP0.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methane;(4-methyl-2H-pyrrol-5-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

2,2-Dimethyl-aminomethylpyrrole
CID 129858885
methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium
CID 139212201
methyl-[(Z)-3-methylpent-3-en-2-ylidene]azanium
CID 139212202
1-(2H-pyrrol-3-yl)ethanamine
CID 18519004
3,5-dimethyl-2H-pyrrole
CID 20653105
5-ethyl-3-methyl-2H-pyrrole
CID 20748859
4,5-dimethyl-2H-pyrrole
CID 21353924
(4,5-dimethyl-2H-pyrrol-3-yl)methanamine
CID 23559255
3-ethyl-5-methyl-2H-pyrrole
CID 23564163
(4-methyl-2H-pyrrol-5-yl)methanamine
CID 57746114
4-ethyl-5-methyl-2H-pyrrole
CID 59983744
2H-pyrrol-5-ylmethanamine
CID 67991228

Frequently Asked Questions

What is the IUPAC name of methane;(4-methyl-2H-pyrrol-5-yl)methanamine?
The IUPAC name of methane;(4-methyl-2H-pyrrol-5-yl)methanamine (CID 159280216) is methane;(4-methyl-2H-pyrrol-5-yl)methanamine.
What is the SMILES notation for methane;(4-methyl-2H-pyrrol-5-yl)methanamine?
The canonical SMILES for methane;(4-methyl-2H-pyrrol-5-yl)methanamine is C.CC1=CCN=C1CN.
What is the InChIKey of methane;(4-methyl-2H-pyrrol-5-yl)methanamine?
The InChIKey is KYUWVPVFUFQIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.CH4/c1-5-2-3-8-6(5)4-7;/h2H,3-4,7H2,1H3;1H4.
What are the key properties of methane;(4-methyl-2H-pyrrol-5-yl)methanamine?
methane;(4-methyl-2H-pyrrol-5-yl)methanamine has a molecular weight of 126.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4-methyl-2H-pyrrol-5-yl)methanamine is sourced from PubChem (CID 159280216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).