4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine

C20H33N — CID 65090143

IUPAC4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine
SMILESCC(CNC1CCCC(C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H33N/c1-16(17-9-6-5-7-10-17)15-21-19-12-8-11-18(13-14-19)20(2,3)4/h5-7,9-10,16,18-19,21H,8,11-15H2,1-4H3
InChIKeyYNZAZMOYPZPIQA-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.37
Rot. Bonds4

About 4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine

4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine (PubChem CID 65090143) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine
PubChem CID65090143
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine
SMILESCC(CNC1CCCC(C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H33N/c1-16(17-9-6-5-7-10-17)15-21-19-12-8-11-18(13-14-19)20(2,3)4/h5-7,9-10,16,18-19,21H,8,11-15H2,1-4H3
InChIKeyYNZAZMOYPZPIQA-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine
CID 104591432
4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine
CID 65089746
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine
CID 65089931
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
4-(2-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748733
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine
CID 103560913
N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43769154
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine (CID 65090143) is 4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine is CC(CNC1CCCC(C(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of 4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine?
The InChIKey is YNZAZMOYPZPIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-16(17-9-6-5-7-10-17)15-21-19-12-8-11-18(13-14-19)20(2,3)4/h5-7,9-10,16,18-19,21H,8,11-15H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine?
4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine is sourced from PubChem (CID 65090143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).