N-cyclopropylcyclohexa-2,4-dien-1-amine

C9H13N — CID 148926844

IUPACN-cyclopropylcyclohexa-2,4-dien-1-amine
SMILESC1=CCC(NC2CC2)C=C1
InChIInChI=1S/C9H13N/c1-2-4-8(5-3-1)10-9-6-7-9/h1-4,8-10H,5-7H2
InChIKeyPLDPCNLSEQJQSH-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.62
Rot. Bonds2

About N-cyclopropylcyclohexa-2,4-dien-1-amine

N-cyclopropylcyclohexa-2,4-dien-1-amine (PubChem CID 148926844) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-cyclopropylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-cyclopropylcyclohexa-2,4-dien-1-amine
PubChem CID148926844
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-cyclopropylcyclohexa-2,4-dien-1-amine
SMILESC1=CCC(NC2CC2)C=C1
InChIInChI=1S/C9H13N/c1-2-4-8(5-3-1)10-9-6-7-9/h1-4,8-10H,5-7H2
InChIKeyPLDPCNLSEQJQSH-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-cyclopropylcyclohexa-2,4-dien-1-amine (CID 148926844) is N-cyclopropylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-cyclopropylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-cyclopropylcyclohexa-2,4-dien-1-amine is C1=CCC(NC2CC2)C=C1.
What is the InChIKey of N-cyclopropylcyclohexa-2,4-dien-1-amine?
The InChIKey is PLDPCNLSEQJQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-4-8(5-3-1)10-9-6-7-9/h1-4,8-10H,5-7H2.
What are the key properties of N-cyclopropylcyclohexa-2,4-dien-1-amine?
N-cyclopropylcyclohexa-2,4-dien-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 148926844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).