(E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine

C9H17N3 — CID 134504013

IUPAC(E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine
SMILES[H]/N=C/C(=C\CNC)/C(CCC)=N/[H]
InChIInChI=1S/C9H17N3/c1-3-4-9(11)8(7-10)5-6-12-2/h5,7,10-12H,3-4,6H2,1-2H3/b8-5+,10-7+,11-9+
InChIKeyJUVPHYKMODLHIV-IPPMBGABSA-N
MW167.26 g/mol
LogP1.60
Rot. Bonds6

About (E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine

(E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine (PubChem CID 134504013) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine
PubChem CID134504013
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine
SMILES[H]/N=C/C(=C\CNC)/C(CCC)=N/[H]
InChIInChI=1S/C9H17N3/c1-3-4-9(11)8(7-10)5-6-12-2/h5,7,10-12H,3-4,6H2,1-2H3/b8-5+,10-7+,11-9+
InChIKeyJUVPHYKMODLHIV-IPPMBGABSA-N
XLogP1.60
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.60
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 (E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine?
The IUPAC name of (E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine (CID 134504013) is (E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine.
What is the SMILES notation for (E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine?
The canonical SMILES for (E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine is [H]/N=C/C(=C\CNC)/C(CCC)=N/[H].
What is the InChIKey of (E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine?
The InChIKey is JUVPHYKMODLHIV-IPPMBGABSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-9(11)8(7-10)5-6-12-2/h5,7,10-12H,3-4,6H2,1-2H3/b8-5+,10-7+,11-9+.
What are the key properties of (E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine?
(E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine is sourced from PubChem (CID 134504013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).