N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine

C17H27N — CID 65087459

IUPACN-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCc1cccc(NC2CCCC(C(C)C)CC2)c1
InChIInChI=1S/C17H27N/c1-13(2)15-7-5-8-16(11-10-15)18-17-9-4-6-14(3)12-17/h4,6,9,12-13,15-16,18H,5,7-8,10-11H2,1-3H3
InChIKeyPJOPFPRJPGIOJJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.01
Rot. Bonds3

About N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine

N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65087459) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65087459
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCc1cccc(NC2CCCC(C(C)C)CC2)c1
InChIInChI=1S/C17H27N/c1-13(2)15-7-5-8-16(11-10-15)18-17-9-4-6-14(3)12-17/h4,6,9,12-13,15-16,18H,5,7-8,10-11H2,1-3H3
InChIKeyPJOPFPRJPGIOJJ-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 79055016
3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 115375907
1-N-(3-methylphenyl)cyclohexane-1,3-diamine
CID 79458335
N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091463
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823
4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419168
N-(3,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087618
N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091130
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087825
3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline
CID 95376117
N-(4-propan-2-ylcycloheptyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65087519

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine (CID 65087459) is N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine is Cc1cccc(NC2CCCC(C(C)C)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is PJOPFPRJPGIOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)15-7-5-8-16(11-10-15)18-17-9-4-6-14(3)12-17/h4,6,9,12-13,15-16,18H,5,7-8,10-11H2,1-3H3.
What are the key properties of N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65087459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).