(Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine

C7H15N3 — CID 171626438

IUPAC(Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine
SMILESC/N=C/C(=C(/C)N)C(C)N
InChIInChI=1S/C7H15N3/c1-5(8)7(4-10-3)6(2)9/h4-5H,8-9H2,1-3H3/b7-6+,10-4+
InChIKeySERWYUIOFIZMJB-PKOYOFPESA-N
MW141.22 g/mol
LogP0.27
Rot. Bonds2

About (Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine

(Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine (PubChem CID 171626438) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine.

Molecular Properties

Compound Name(Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine
PubChem CID171626438
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine
SMILESC/N=C/C(=C(/C)N)C(C)N
InChIInChI=1S/C7H15N3/c1-5(8)7(4-10-3)6(2)9/h4-5H,8-9H2,1-3H3/b7-6+,10-4+
InChIKeySERWYUIOFIZMJB-PKOYOFPESA-N
XLogP0.27
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.27
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

1,2,3-trimethyl-2H-pyrrol-1-ium-4-amine
CID 18723566
(Z)-3-methanimidoylpent-2-en-2-amine
CID 89003598
(Z)-4-methanimidoylhex-3-en-3-amine
CID 89326848
(Z)-4-(methyliminomethyl)hex-3-en-3-amine
CID 90299196
1-(5-Methyl-3,4-dihydropyridin-6-yl)ethanamine
CID 123565992
3,5-dimethyl-2H-pyridine-3,4-diamine
CID 141516576
(Z)-1-imino-2-methylpent-2-en-3-amine
CID 143137947
(Z)-2-(C,N-dimethylcarbonimidoyl)but-2-ene-1,3-diamine
CID 143502161
(Z)-2-(methyliminomethyl)but-2-ene-1,3-diamine
CID 143626271
(E)-3-methanimidoylpent-2-ene-2,4-diamine
CID 144134567
(E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine
CID 144912796
(Z)-3-(methyliminomethyl)pent-2-en-2-amine
CID 146215270

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine?
The IUPAC name of (Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine (CID 171626438) is (Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine.
What is the SMILES notation for (Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine?
The canonical SMILES for (Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine is C/N=C/C(=C(/C)N)C(C)N.
What is the InChIKey of (Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine?
The InChIKey is SERWYUIOFIZMJB-PKOYOFPESA-N. The full InChI is InChI=1S/C7H15N3/c1-5(8)7(4-10-3)6(2)9/h4-5H,8-9H2,1-3H3/b7-6+,10-4+.
What are the key properties of (Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine?
(Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine has a molecular weight of 141.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methyliminomethyl)pent-2-ene-2,4-diamine is sourced from PubChem (CID 171626438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).