1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine

C13H22N2 — CID 66409634

IUPAC1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
SMILESCC1CCCCC1CNCc1cc[nH]c1
InChIInChI=1S/C13H22N2/c1-11-4-2-3-5-13(11)10-15-9-12-6-7-14-8-12/h6-8,11,13-15H,2-5,9-10H2,1H3
InChIKeyVQUPMXHQKHWGAY-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.93
Rot. Bonds4

About 1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine

1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine (PubChem CID 66409634) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
PubChem CID66409634
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
SMILESCC1CCCCC1CNCc1cc[nH]c1
InChIInChI=1S/C13H22N2/c1-11-4-2-3-5-13(11)10-15-9-12-6-7-14-8-12/h6-8,11,13-15H,2-5,9-10H2,1H3
InChIKeyVQUPMXHQKHWGAY-UHFFFAOYSA-N
XLogP2.93
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 115686102
2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 66409208
1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
CID 63455202
N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416779
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073
1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
CID 107416782
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63455728
1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66410289
N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine
CID 130658457
2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 79831663

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The IUPAC name of 1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine (CID 66409634) is 1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine is CC1CCCCC1CNCc1cc[nH]c1.
What is the InChIKey of 1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The InChIKey is VQUPMXHQKHWGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-4-2-3-5-13(11)10-15-9-12-6-7-14-8-12/h6-8,11,13-15H,2-5,9-10H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine has a molecular weight of 206.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine is sourced from PubChem (CID 66409634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).