N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine

C18H29N — CID 65087525

IUPACN-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C18H29N/c1-4-6-16-7-5-8-17(12-11-16)19-18-13-14(2)9-10-15(18)3/h9-10,13,16-17,19H,4-8,11-12H2,1-3H3
InChIKeySRGPJJGYZCUJMJ-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.46
Rot. Bonds4

About N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine

N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine (PubChem CID 65087525) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine
PubChem CID65087525
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C18H29N/c1-4-6-16-7-5-8-17(12-11-16)19-18-13-14(2)9-10-15(18)3/h9-10,13,16-17,19H,4-8,11-12H2,1-3H3
InChIKeySRGPJJGYZCUJMJ-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline
CID 28968119
4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine
CID 55091365
2,5-dimethyl-4-[(4-propylcycloheptyl)amino]phenol
CID 106954139
N-(3-bromo-4-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091284
N-(2-methyl-4-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086964
N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 107572198
3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine
CID 115377235
4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083052
N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091174
N-(3-chloro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65087052
N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
CID 65086683
2,5-dimethyl-4-[(4-propylcyclohexyl)amino]phenol
CID 106954098

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine (CID 65087525) is N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(Nc2cc(C)ccc2C)CC1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine?
The InChIKey is SRGPJJGYZCUJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-6-16-7-5-8-17(12-11-16)19-18-13-14(2)9-10-15(18)3/h9-10,13,16-17,19H,4-8,11-12H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine?
N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65087525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).