N-pentan-3-ylcyclohexa-1,3-dien-1-amine

C11H19N — CID 138531740

IUPACN-pentan-3-ylcyclohexa-1,3-dien-1-amine
SMILESCCC(CC)NC1=CC=CCC1
InChIInChI=1S/C11H19N/c1-3-10(4-2)12-11-8-6-5-7-9-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyKGNDVLOHXUULSF-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.00
Rot. Bonds4

About N-pentan-3-ylcyclohexa-1,3-dien-1-amine

N-pentan-3-ylcyclohexa-1,3-dien-1-amine (PubChem CID 138531740) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-pentan-3-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-pentan-3-ylcyclohexa-1,3-dien-1-amine
PubChem CID138531740
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-pentan-3-ylcyclohexa-1,3-dien-1-amine
SMILESCCC(CC)NC1=CC=CCC1
InChIInChI=1S/C11H19N/c1-3-10(4-2)12-11-8-6-5-7-9-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyKGNDVLOHXUULSF-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-pentan-3-ylcyclohexa-1,3-dien-1-amine (CID 138531740) is N-pentan-3-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-pentan-3-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-pentan-3-ylcyclohexa-1,3-dien-1-amine is CCC(CC)NC1=CC=CCC1.
What is the InChIKey of N-pentan-3-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is KGNDVLOHXUULSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-10(4-2)12-11-8-6-5-7-9-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3.
What are the key properties of N-pentan-3-ylcyclohexa-1,3-dien-1-amine?
N-pentan-3-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 138531740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).