4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine

C20H33N — CID 65090155

IUPAC4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(N)(CCCc2ccccc2)CC1
InChIInChI=1S/C20H33N/c1-19(2,3)18-12-8-15-20(21,16-13-18)14-7-11-17-9-5-4-6-10-17/h4-6,9-10,18H,7-8,11-16,21H2,1-3H3
InChIKeyLKIAOQVKLAHIMU-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.33
Rot. Bonds4

About 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine

4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine (PubChem CID 65090155) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine
PubChem CID65090155
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(N)(CCCc2ccccc2)CC1
InChIInChI=1S/C20H33N/c1-19(2,3)18-12-8-15-20(21,16-13-18)14-7-11-17-9-5-4-6-10-17/h4-6,9-10,18H,7-8,11-16,21H2,1-3H3
InChIKeyLKIAOQVKLAHIMU-UHFFFAOYSA-N
XLogP5.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151218
1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086951
[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol
CID 66024369
4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104735914
4-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine
CID 65089483
3-(2-methylpropyl)-1-(3-phenylpropyl)cyclohexan-1-amine
CID 107430007
3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine
CID 64513874
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
4-tert-butyl-1-(4,4-dimethylpentyl)cyclohexan-1-amine
CID 114209791
1-[(3-bromothiophen-2-yl)methyl]-4-tert-butylcycloheptan-1-amine
CID 65089915
4-ethyl-1-(2-phenylethyl)cyclohexan-1-amine
CID 60799381
1-[3-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 83907225

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine (CID 65090155) is 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine is CC(C)(C)C1CCCC(N)(CCCc2ccccc2)CC1.
What is the InChIKey of 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine?
The InChIKey is LKIAOQVKLAHIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-19(2,3)18-12-8-15-20(21,16-13-18)14-7-11-17-9-5-4-6-10-17/h4-6,9-10,18H,7-8,11-16,21H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine?
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine is sourced from PubChem (CID 65090155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).