N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine

C15H26N2 — CID 66414811

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCCn1ccc(CNC2CCC(C)CC2C)c1
InChIInChI=1S/C15H26N2/c1-4-17-8-7-14(11-17)10-16-15-6-5-12(2)9-13(15)3/h7-8,11-13,15-16H,4-6,9-10H2,1-3H3
InChIKeyKJLYUROPZIKLCV-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.42
Rot. Bonds4

About N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine

N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 66414811) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID66414811
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCCn1ccc(CNC2CCC(C)CC2C)c1
InChIInChI=1S/C15H26N2/c1-4-17-8-7-14(11-17)10-16-15-6-5-12(2)9-13(15)3/h7-8,11-13,15-16H,4-6,9-10H2,1-3H3
InChIKeyKJLYUROPZIKLCV-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine
CID 66414407
N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine
CID 103270528
N-[(1-ethylpyrrol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714455
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994093
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994455
N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 66413966
N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66414021
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine
CID 103527273
2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 63994271
N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994650

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 66414811) is N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine is CCn1ccc(CNC2CCC(C)CC2C)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is KJLYUROPZIKLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-17-8-7-14(11-17)10-16-15-6-5-12(2)9-13(15)3/h7-8,11-13,15-16H,4-6,9-10H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 66414811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).