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

C17H27N — CID 65081348

IUPAC4-methyl-1-(4-propylphenyl)cycloheptan-1-amine
SMILESCCCc1ccc(C2(N)CCCC(C)CC2)cc1
InChIInChI=1S/C17H27N/c1-3-5-15-7-9-16(10-8-15)17(18)12-4-6-14(2)11-13-17/h7-10,14H,3-6,11-13,18H2,1-2H3
InChIKeyGLVLGLDIVSFUBM-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.39
Rot. Bonds3

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

4-methyl-1-(4-propylphenyl)cycloheptan-1-amine (PubChem CID 65081348) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-methyl-1-(4-propylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(4-propylphenyl)cycloheptan-1-amine
PubChem CID65081348
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-methyl-1-(4-propylphenyl)cycloheptan-1-amine
SMILESCCCc1ccc(C2(N)CCCC(C)CC2)cc1
InChIInChI=1S/C17H27N/c1-3-5-15-7-9-16(10-8-15)17(18)12-4-6-14(2)11-13-17/h7-10,14H,3-6,11-13,18H2,1-2H3
InChIKeyGLVLGLDIVSFUBM-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008
4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine
CID 65081135
1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397303
1-(3,4-diethoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081082
ethane;1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine
CID 143883025
4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259718
1-(4-ethylphenyl)cycloheptan-1-amine
CID 62544052
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylcycloheptan-1-amine
CID 65081081
1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine
CID 143883026
2-[4-(1-aminocyclobutyl)phenyl]ethanol
CID 117112872
1-(4-ethylphenyl)-4-methylcycloheptan-1-ol
CID 65085121

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propylphenyl)cycloheptan-1-amine?
The IUPAC name of 4-methyl-1-(4-propylphenyl)cycloheptan-1-amine (CID 65081348) is 4-methyl-1-(4-propylphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-1-(4-propylphenyl)cycloheptan-1-amine?
The canonical SMILES for 4-methyl-1-(4-propylphenyl)cycloheptan-1-amine is CCCc1ccc(C2(N)CCCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-1-(4-propylphenyl)cycloheptan-1-amine?
The InChIKey is GLVLGLDIVSFUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-5-15-7-9-16(10-8-15)17(18)12-4-6-14(2)11-13-17/h7-10,14H,3-6,11-13,18H2,1-2H3.
What are the key properties of 4-methyl-1-(4-propylphenyl)cycloheptan-1-amine?
4-methyl-1-(4-propylphenyl)cycloheptan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65081348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).