N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine

C20H33N — CID 65086909

IUPACN-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C20H33N/c1-15(2)16-9-8-10-17(14-13-16)21-19-12-7-6-11-18(19)20(3,4)5/h6-7,11-12,15-17,21H,8-10,13-14H2,1-5H3
InChIKeyYXFYIEXTQCVDNQ-UHFFFAOYSA-N
MW287.49 g/mol
LogP6.00
Rot. Bonds3

About N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine

N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65086909) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65086909
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C20H33N/c1-15(2)16-9-8-10-17(14-13-16)21-19-12-7-6-11-18(19)20(3,4)5/h6-7,11-12,15-17,21H,8-10,13-14H2,1-5H3
InChIKeyYXFYIEXTQCVDNQ-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(2-tert-butylphenyl)cyclohexane-1,3-diamine
CID 79459321
2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419203
2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline
CID 113489744
N-(2-tert-butylphenyl)-1,1-dioxothian-3-amine
CID 63911828
N-(2-tert-butylphenyl)azetidin-3-amine
CID 59577018
N-(2-tert-butylphenyl)-1-propylazepan-4-amine
CID 65074700
2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773
2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline
CID 62701624
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 107447794
N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline
CID 4711830
2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107447813
2-tert-butyl-N-(3-methylbutan-2-yl)aniline
CID 43682932

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine (CID 65086909) is N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(Nc2ccccc2C(C)(C)C)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is YXFYIEXTQCVDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-15(2)16-9-8-10-17(14-13-16)21-19-12-7-6-11-18(19)20(3,4)5/h6-7,11-12,15-17,21H,8-10,13-14H2,1-5H3.
What are the key properties of N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine?
N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65086909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).