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

C15H26N2 — CID 66443243

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCCn1cccc1CNC1CCC(C)(C)CC1
InChIInChI=1S/C15H26N2/c1-4-17-11-5-6-14(17)12-16-13-7-9-15(2,3)10-8-13/h5-6,11,13,16H,4,7-10,12H2,1-3H3
InChIKeyPHBKDXHGUOFGGW-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.57
Rot. Bonds4

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

N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 66443243) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID66443243
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCCn1cccc1CNC1CCC(C)(C)CC1
InChIInChI=1S/C15H26N2/c1-4-17-11-5-6-14(17)12-16-13-7-9-15(2,3)10-8-13/h5-6,11,13,16H,4,7-10,12H2,1-3H3
InChIKeyPHBKDXHGUOFGGW-UHFFFAOYSA-N
XLogP3.57
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-methylcyclohexan-1-amine
CID 66412458
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122687
1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine
CID 66412732
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 82928473
4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol
CID 66444409
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402201
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
N-[(1-ethylpyrrol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353222

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 66443243) is N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine is CCn1cccc1CNC1CCC(C)(C)CC1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is PHBKDXHGUOFGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-17-11-5-6-14(17)12-16-13-7-9-15(2,3)10-8-13/h5-6,11,13,16H,4,7-10,12H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.57, 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]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 66443243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).