(3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine

C9H17N3 — CID 126518760

IUPAC(3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine
SMILESC=C(N)[C@@H](C)C/C(C)=N/C=C\N
InChIInChI=1S/C9H17N3/c1-7(9(3)11)6-8(2)12-5-4-10/h4-5,7H,3,6,10-11H2,1-2H3/b5-4-,12-8+/t7-/m0/s1
InChIKeyKNDPQAUJVAMWTB-JGAQZECVSA-N
MW167.26 g/mol
LogP1.38
Rot. Bonds4

About (3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine

(3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine (PubChem CID 126518760) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine.

Molecular Properties

Compound Name(3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine
PubChem CID126518760
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine
SMILESC=C(N)[C@@H](C)C/C(C)=N/C=C\N
InChIInChI=1S/C9H17N3/c1-7(9(3)11)6-8(2)12-5-4-10/h4-5,7H,3,6,10-11H2,1-2H3/b5-4-,12-8+/t7-/m0/s1
InChIKeyKNDPQAUJVAMWTB-JGAQZECVSA-N
XLogP1.38
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
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 (3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine?
The IUPAC name of (3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine (CID 126518760) is (3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine.
What is the SMILES notation for (3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine?
The canonical SMILES for (3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine is C=C(N)[C@@H](C)C/C(C)=N/C=C\N.
What is the InChIKey of (3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine?
The InChIKey is KNDPQAUJVAMWTB-JGAQZECVSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(9(3)11)6-8(2)12-5-4-10/h4-5,7H,3,6,10-11H2,1-2H3/b5-4-,12-8+/t7-/m0/s1.
What are the key properties of (3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine?
(3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine is sourced from PubChem (CID 126518760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).