(Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine

C8H17N3 — CID 163977391

IUPAC(Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine
SMILESC/N=C(C)/C(CCN)=C(/C)N
InChIInChI=1S/C8H17N3/c1-6(10)8(4-5-9)7(2)11-3/h4-5,9-10H2,1-3H3/b8-6-,11-7+
InChIKeySVJDDHAXGRVWEO-FAWHLJIPSA-N
MW155.24 g/mol
LogP0.66
Rot. Bonds3

About (Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine

(Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine (PubChem CID 163977391) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine
PubChem CID163977391
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine
SMILESC/N=C(C)/C(CCN)=C(/C)N
InChIInChI=1S/C8H17N3/c1-6(10)8(4-5-9)7(2)11-3/h4-5,9-10H2,1-3H3/b8-6-,11-7+
InChIKeySVJDDHAXGRVWEO-FAWHLJIPSA-N
XLogP0.66
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.66
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

(Z)-N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 18725311
methyl-[(Z)-3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
CID 59932858
Methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
CID 59955792
N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 59955793
2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine
CID 66908657
2-(C,N-dimethylcarbonimidoyl)cyclohepten-1-amine
CID 66908658
2-(C,N-dimethylcarbonimidoyl)cyclopenten-1-amine
CID 67990285
2-(5-methyl-3H-pyrrol-4-yl)ethanamine
CID 68042836
4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine
CID 68983224
(1Z)-1-(5-methylimino-2,3-dihydropyridin-4-ylidene)ethanamine
CID 89510152
4-(C,N-dimethylcarbonimidoyl)-2,3-dihydropyridin-5-amine
CID 89510154
2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine
CID 90161353

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine?
The IUPAC name of (Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine (CID 163977391) is (Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine.
What is the SMILES notation for (Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine?
The canonical SMILES for (Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine is C/N=C(C)/C(CCN)=C(/C)N.
What is the InChIKey of (Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine?
The InChIKey is SVJDDHAXGRVWEO-FAWHLJIPSA-N. The full InChI is InChI=1S/C8H17N3/c1-6(10)8(4-5-9)7(2)11-3/h4-5,9-10H2,1-3H3/b8-6-,11-7+.
What are the key properties of (Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine?
(Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine has a molecular weight of 155.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine is sourced from PubChem (CID 163977391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).