1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine

C16H26N2 — CID 79468037

IUPAC1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCCc1ccc(CN(C)C2CCCC(N)C2)cc1
InChIInChI=1S/C16H26N2/c1-3-13-7-9-14(10-8-13)12-18(2)16-6-4-5-15(17)11-16/h7-10,15-16H,3-6,11-12,17H2,1-2H3
InChIKeyJVOOZHZZAQGAIL-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.95
Rot. Bonds4

About 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine

1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine (PubChem CID 79468037) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
PubChem CID79468037
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCCc1ccc(CN(C)C2CCCC(N)C2)cc1
InChIInChI=1S/C16H26N2/c1-3-13-7-9-14(10-8-13)12-18(2)16-6-4-5-15(17)11-16/h7-10,15-16H,3-6,11-12,17H2,1-2H3
InChIKeyJVOOZHZZAQGAIL-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclobutane-1,3-diamine
CID 80561789
3-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 64506247
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468311
1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
CID 106899393
1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine
CID 79468184
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 84584678
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 143652476
3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79631539
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine
CID 79469197
2-[(3-aminocyclohexyl)-methylamino]acetamide
CID 79467648

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine (CID 79468037) is 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine is CCc1ccc(CN(C)C2CCCC(N)C2)cc1.
What is the InChIKey of 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
The InChIKey is JVOOZHZZAQGAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-13-7-9-14(10-8-13)12-18(2)16-6-4-5-15(17)11-16/h7-10,15-16H,3-6,11-12,17H2,1-2H3.
What are the key properties of 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 79468037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).