5-imino-N-propylcyclohepta-1,6-dien-1-amine

C10H16N2 — CID 134482514

IUPAC5-imino-N-propylcyclohepta-1,6-dien-1-amine
SMILES[H]/N=C1/C=CC(NCCC)=CCC1
InChIInChI=1S/C10H16N2/c1-2-8-12-10-5-3-4-9(11)6-7-10/h5-7,11-12H,2-4,8H2,1H3/b11-9+
InChIKeyVBHJCPBLVPCIST-PKNBQFBNSA-N
MW164.25 g/mol
LogP2.24
Rot. Bonds3

About 5-imino-N-propylcyclohepta-1,6-dien-1-amine

5-imino-N-propylcyclohepta-1,6-dien-1-amine (PubChem CID 134482514) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-imino-N-propylcyclohepta-1,6-dien-1-amine.

Molecular Properties

Compound Name5-imino-N-propylcyclohepta-1,6-dien-1-amine
PubChem CID134482514
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-imino-N-propylcyclohepta-1,6-dien-1-amine
SMILES[H]/N=C1/C=CC(NCCC)=CCC1
InChIInChI=1S/C10H16N2/c1-2-8-12-10-5-3-4-9(11)6-7-10/h5-7,11-12H,2-4,8H2,1H3/b11-9+
InChIKeyVBHJCPBLVPCIST-PKNBQFBNSA-N
XLogP2.24
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-imino-N-propylcyclohepta-1,6-dien-1-amine?
The IUPAC name of 5-imino-N-propylcyclohepta-1,6-dien-1-amine (CID 134482514) is 5-imino-N-propylcyclohepta-1,6-dien-1-amine.
What is the SMILES notation for 5-imino-N-propylcyclohepta-1,6-dien-1-amine?
The canonical SMILES for 5-imino-N-propylcyclohepta-1,6-dien-1-amine is [H]/N=C1/C=CC(NCCC)=CCC1.
What is the InChIKey of 5-imino-N-propylcyclohepta-1,6-dien-1-amine?
The InChIKey is VBHJCPBLVPCIST-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-8-12-10-5-3-4-9(11)6-7-10/h5-7,11-12H,2-4,8H2,1H3/b11-9+.
What are the key properties of 5-imino-N-propylcyclohepta-1,6-dien-1-amine?
5-imino-N-propylcyclohepta-1,6-dien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-N-propylcyclohepta-1,6-dien-1-amine is sourced from PubChem (CID 134482514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).