7-iminohept-2-en-1-amine

C7H14N2 — CID 91081124

IUPAC7-iminohept-2-en-1-amine
SMILES[H]/N=C/CCCC=CCN
InChIInChI=1S/C7H14N2/c8-6-4-2-1-3-5-7-9/h2,4,7,9H,1,3,5-6,8H2/b4-2?,9-7+
InChIKeyXVMHZCMFRBZSKU-OTGARJDMSA-N
MW126.20 g/mol
LogP1.32
Rot. Bonds5

About 7-iminohept-2-en-1-amine

7-iminohept-2-en-1-amine (PubChem CID 91081124) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 7-iminohept-2-en-1-amine.

Molecular Properties

Compound Name7-iminohept-2-en-1-amine
PubChem CID91081124
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name7-iminohept-2-en-1-amine
SMILES[H]/N=C/CCCC=CCN
InChIInChI=1S/C7H14N2/c8-6-4-2-1-3-5-7-9/h2,4,7,9H,1,3,5-6,8H2/b4-2?,9-7+
InChIKeyXVMHZCMFRBZSKU-OTGARJDMSA-N
XLogP1.32
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oct-3-en-1-imine
CID 53787635
7-Iminohepta-2,4-dien-1-amine
CID 90718728
5-Iminopent-1-en-3-amine
CID 91588236
Hept-5-en-1-imine
CID 123202038
5-Iminopent-2-en-1-amine
CID 123203625
(Z)-5-iminopent-3-en-1-amine
CID 123325470
4-Bromo-7-iminohept-2-en-1-amine
CID 123607415
6-Methyliminohex-2-en-1-amine
CID 123732613
5-Iminopent-3-en-1-amine
CID 123777766
6-Iminohex-3-en-2-amine
CID 138659587
[(Z)-2-amino-1-iminohex-4-en-3-yl]azanide
CID 145692929
(E)-1-iminohex-4-en-2-amine
CID 170634209

Frequently Asked Questions

What is the IUPAC name of 7-iminohept-2-en-1-amine?
The IUPAC name of 7-iminohept-2-en-1-amine (CID 91081124) is 7-iminohept-2-en-1-amine.
What is the SMILES notation for 7-iminohept-2-en-1-amine?
The canonical SMILES for 7-iminohept-2-en-1-amine is [H]/N=C/CCCC=CCN.
What is the InChIKey of 7-iminohept-2-en-1-amine?
The InChIKey is XVMHZCMFRBZSKU-OTGARJDMSA-N. The full InChI is InChI=1S/C7H14N2/c8-6-4-2-1-3-5-7-9/h2,4,7,9H,1,3,5-6,8H2/b4-2?,9-7+.
What are the key properties of 7-iminohept-2-en-1-amine?
7-iminohept-2-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iminohept-2-en-1-amine is sourced from PubChem (CID 91081124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).