(Z,2R)-5-methyliminopent-3-ene-2,3-diamine

C6H13N3 — CID 155354245

IUPAC(Z,2R)-5-methyliminopent-3-ene-2,3-diamine
SMILESC/N=C/C=C(\N)[C@@H](C)N
InChIInChI=1S/C6H13N3/c1-5(7)6(8)3-4-9-2/h3-5H,7-8H2,1-2H3/b6-3-,9-4+/t5-/m1/s1
InChIKeyZHAWFCDOWBVIGW-KKQPIXSVSA-N
MW127.19 g/mol
LogP-0.12
Rot. Bonds2

About (Z,2R)-5-methyliminopent-3-ene-2,3-diamine

(Z,2R)-5-methyliminopent-3-ene-2,3-diamine (PubChem CID 155354245) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z,2R)-5-methyliminopent-3-ene-2,3-diamine.

Molecular Properties

Compound Name(Z,2R)-5-methyliminopent-3-ene-2,3-diamine
PubChem CID155354245
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(Z,2R)-5-methyliminopent-3-ene-2,3-diamine
SMILESC/N=C/C=C(\N)[C@@H](C)N
InChIInChI=1S/C6H13N3/c1-5(7)6(8)3-4-9-2/h3-5H,7-8H2,1-2H3/b6-3-,9-4+/t5-/m1/s1
InChIKeyZHAWFCDOWBVIGW-KKQPIXSVSA-N
XLogP-0.12
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-1-methyliminopent-2-en-3-amine
CID 173565633
2,3-Dihydropyridin-3-amine
CID 57288527
5-methyl-2H-pyrrol-3-amine
CID 59161450
M-methylpyridin-3,4-diamine
CID 66724566
3-methyl-2H-pyridine-2,3,5-triamine
CID 67781597
(1R)-1-(3,4-dihydropyridin-6-yl)propan-1-amine
CID 69917672
(Z)-3-(ethylideneamino)pent-3-en-1-amine
CID 89028862
2-Methyl-2,3-dihydropyridin-3-amine
CID 89039076
2,3-Dihydropyridine-3,4-diamine
CID 89105867
(E)-5-ethenylimino-3-methylpent-3-en-2-amine
CID 89185805
(Z)-2-N-methyl-5-methyliminopent-3-ene-2,3-diamine
CID 89186150
(Z)-2-(ethylideneamino)but-1-ene-1,3-diamine
CID 89634382

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-5-methyliminopent-3-ene-2,3-diamine?
The IUPAC name of (Z,2R)-5-methyliminopent-3-ene-2,3-diamine (CID 155354245) is (Z,2R)-5-methyliminopent-3-ene-2,3-diamine.
What is the SMILES notation for (Z,2R)-5-methyliminopent-3-ene-2,3-diamine?
The canonical SMILES for (Z,2R)-5-methyliminopent-3-ene-2,3-diamine is C/N=C/C=C(\N)[C@@H](C)N.
What is the InChIKey of (Z,2R)-5-methyliminopent-3-ene-2,3-diamine?
The InChIKey is ZHAWFCDOWBVIGW-KKQPIXSVSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(7)6(8)3-4-9-2/h3-5H,7-8H2,1-2H3/b6-3-,9-4+/t5-/m1/s1.
What are the key properties of (Z,2R)-5-methyliminopent-3-ene-2,3-diamine?
(Z,2R)-5-methyliminopent-3-ene-2,3-diamine has a molecular weight of 127.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-5-methyliminopent-3-ene-2,3-diamine is sourced from PubChem (CID 155354245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).