1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine

C16H25N — CID 143107642

IUPAC1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine
SMILESCC(C)C1=CC=CC(C2(N)CCCCC2)=CC1
InChIInChI=1S/C16H25N/c1-13(2)14-7-6-8-15(10-9-14)16(17)11-4-3-5-12-16/h6-8,10,13H,3-5,9,11-12,17H2,1-2H3
InChIKeyYZOMSDZLYVNKDI-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.12
Rot. Bonds2

About 1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine

1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine (PubChem CID 143107642) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine
PubChem CID143107642
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine
SMILESCC(C)C1=CC=CC(C2(N)CCCCC2)=CC1
InChIInChI=1S/C16H25N/c1-13(2)14-7-6-8-15(10-9-14)16(17)11-4-3-5-12-16/h6-8,10,13H,3-5,9,11-12,17H2,1-2H3
InChIKeyYZOMSDZLYVNKDI-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine?
The IUPAC name of 1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine (CID 143107642) is 1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine is CC(C)C1=CC=CC(C2(N)CCCCC2)=CC1.
What is the InChIKey of 1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine?
The InChIKey is YZOMSDZLYVNKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)14-7-6-8-15(10-9-14)16(17)11-4-3-5-12-16/h6-8,10,13H,3-5,9,11-12,17H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine?
1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 143107642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).