4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine

C18H29N — CID 65082802

IUPAC4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
SMILESCCC1CCCC(Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H29N/c1-4-15-6-5-7-17(11-8-15)19-18-12-9-16(10-13-18)14(2)3/h9-10,12-15,17,19H,4-8,11H2,1-3H3
InChIKeyAQNMCMOMPHRROF-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.58
Rot. Bonds4

About 4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine

4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine (PubChem CID 65082802) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
PubChem CID65082802
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
SMILESCCC1CCCC(Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H29N/c1-4-15-6-5-7-17(11-8-15)19-18-12-9-16(10-13-18)14(2)3/h9-10,12-15,17,19H,4-8,11H2,1-3H3
InChIKeyAQNMCMOMPHRROF-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
N-(4-butylphenyl)-4-ethylcycloheptan-1-amine
CID 65082977
2-[4-[(4-ethylcycloheptyl)amino]phenyl]acetonitrile
CID 65084249
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455
4-butan-2-yl-N-cyclopentylaniline
CID 43681058
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083844
[4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate
CID 175562113
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
CID 65083616
4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine
CID 65083155
4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine
CID 65083101
ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 176986547

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine (CID 65082802) is 4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine is CCC1CCCC(Nc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine?
The InChIKey is AQNMCMOMPHRROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-15-6-5-7-17(11-8-15)19-18-12-9-16(10-13-18)14(2)3/h9-10,12-15,17,19H,4-8,11H2,1-3H3.
What are the key properties of 4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine?
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65082802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).