N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine

C14H24N2 — CID 66412458

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCCn1cccc1CNC1CCC(C)CC1
InChIInChI=1S/C14H24N2/c1-3-16-10-4-5-14(16)11-15-13-8-6-12(2)7-9-13/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3
InChIKeyMGCSUFQGJJMOBR-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.18
Rot. Bonds4

About N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine

N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 66412458) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
PubChem CID66412458
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCCn1cccc1CNC1CCC(C)CC1
InChIInChI=1S/C14H24N2/c1-3-16-10-4-5-14(16)11-15-13-8-6-12(2)7-9-13/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3
InChIKeyMGCSUFQGJJMOBR-UHFFFAOYSA-N
XLogP3.18
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122687
N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 66443243
1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine
CID 66412732
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 82928473
2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol
CID 66444409
N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402201
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide
CID 66412930

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine (CID 66412458) is N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine is CCn1cccc1CNC1CCC(C)CC1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is MGCSUFQGJJMOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-16-10-4-5-14(16)11-15-13-8-6-12(2)7-9-13/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine?
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 66412458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).