1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine

C18H30N2 — CID 79067030

IUPAC1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCCc1ccc(C(N)C2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-4-8-15-9-11-16(12-10-15)17(19)18(20(2)3)13-6-5-7-14-18/h9-12,17H,4-8,13-14,19H2,1-3H3
InChIKeyQHQYGTRBKWPSMR-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.90
Rot. Bonds5

About 1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79067030) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79067030
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCCc1ccc(C(N)C2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-4-8-15-9-11-16(12-10-15)17(19)18(20(2)3)13-6-5-7-14-18/h9-12,17H,4-8,13-14,19H2,1-3H3
InChIKeyQHQYGTRBKWPSMR-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethylamino-(4-propylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058158
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine
CID 79069984
[1-(aminomethyl)cyclobutyl]-(4-propylphenyl)methanamine
CID 116943807
1-[(R)-amino(phenyl)methyl]-N,N-dimethylcyclobutan-1-amine
CID 68559159
1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066664
1-[amino-(4-ethylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79075065
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065979
1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol
CID 103452040
1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066212
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79067030) is 1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine is CCCc1ccc(C(N)C2(N(C)C)CCCCC2)cc1.
What is the InChIKey of 1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is QHQYGTRBKWPSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-8-15-9-11-16(12-10-15)17(19)18(20(2)3)13-6-5-7-14-18/h9-12,17H,4-8,13-14,19H2,1-3H3.
What are the key properties of 1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79067030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).