4-methyl-1-(4-methylphenyl)cycloheptan-1-amine

C15H23N — CID 65080008

IUPAC4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
SMILESCc1ccc(C2(N)CCCC(C)CC2)cc1
InChIInChI=1S/C15H23N/c1-12-4-3-10-15(16,11-9-12)14-7-5-13(2)6-8-14/h5-8,12H,3-4,9-11,16H2,1-2H3
InChIKeyKAISEZYGDHAADS-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.75
Rot. Bonds1

About 4-methyl-1-(4-methylphenyl)cycloheptan-1-amine

4-methyl-1-(4-methylphenyl)cycloheptan-1-amine (PubChem CID 65080008) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
PubChem CID65080008
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
SMILESCc1ccc(C2(N)CCCC(C)CC2)cc1
InChIInChI=1S/C15H23N/c1-12-4-3-10-15(16,11-9-12)14-7-5-13(2)6-8-14/h5-8,12H,3-4,9-11,16H2,1-2H3
InChIKeyKAISEZYGDHAADS-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-(4-propylphenyl)cycloheptan-1-amine
CID 65081348
1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride
CID 45380293
ethane;1-(4-methylphenyl)cyclobutan-1-amine
CID 169135941
4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine
CID 65081135
1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397303
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylcycloheptan-1-amine
CID 65081081
4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259718
1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene
CID 54434064
1-(3,4-diethoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081082
1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 107512504
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine
CID 65090015
trans-(1S,3R)-3-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259850

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)cycloheptan-1-amine?
The IUPAC name of 4-methyl-1-(4-methylphenyl)cycloheptan-1-amine (CID 65080008) is 4-methyl-1-(4-methylphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)cycloheptan-1-amine?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)cycloheptan-1-amine is Cc1ccc(C2(N)CCCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)cycloheptan-1-amine?
The InChIKey is KAISEZYGDHAADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-4-3-10-15(16,11-9-12)14-7-5-13(2)6-8-14/h5-8,12H,3-4,9-11,16H2,1-2H3.
What are the key properties of 4-methyl-1-(4-methylphenyl)cycloheptan-1-amine?
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65080008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).