(Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine

C9H19N3 — CID 166676062

IUPAC(Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine
SMILES[H]/N=C/C=C(\N)CCC(C)(C)NC
InChIInChI=1S/C9H19N3/c1-9(2,12-3)6-4-8(11)5-7-10/h5,7,10,12H,4,6,11H2,1-3H3/b8-5-,10-7+
InChIKeyQRRGVOVNZNABAM-OEPUHGBTSA-N
MW169.27 g/mol
LogP1.26
Rot. Bonds5

About (Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine

(Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine (PubChem CID 166676062) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine.

Molecular Properties

Compound Name(Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine
PubChem CID166676062
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine
SMILES[H]/N=C/C=C(\N)CCC(C)(C)NC
InChIInChI=1S/C9H19N3/c1-9(2,12-3)6-4-8(11)5-7-10/h5,7,10,12H,4,6,11H2,1-3H3/b8-5-,10-7+
InChIKeyQRRGVOVNZNABAM-OEPUHGBTSA-N
XLogP1.26
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine?
The IUPAC name of (Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine (CID 166676062) is (Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine.
What is the SMILES notation for (Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine?
The canonical SMILES for (Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine is [H]/N=C/C=C(\N)CCC(C)(C)NC.
What is the InChIKey of (Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine?
The InChIKey is QRRGVOVNZNABAM-OEPUHGBTSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(2,12-3)6-4-8(11)5-7-10/h5,7,10,12H,4,6,11H2,1-3H3/b8-5-,10-7+.
What are the key properties of (Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine?
(Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine has a molecular weight of 169.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-imino-2-N,2-dimethylhept-5-ene-2,5-diamine is sourced from PubChem (CID 166676062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).