(3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine

C9H17N3 — CID 143987367

IUPAC(3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine
SMILESC=C(C)/C(N)=C(\C(=C)C)N(C)N
InChIInChI=1S/C9H17N3/c1-6(2)8(10)9(7(3)4)12(5)11/h1,3,10-11H2,2,4-5H3/b9-8-
InChIKeyNUCYXVQSQFSSPC-HJWRWDBZSA-N
MW167.26 g/mol
LogP1.11
Rot. Bonds3

About (3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine

(3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine (PubChem CID 143987367) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine
PubChem CID143987367
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine
SMILESC=C(C)/C(N)=C(\C(=C)C)N(C)N
InChIInChI=1S/C9H17N3/c1-6(2)8(10)9(7(3)4)12(5)11/h1,3,10-11H2,2,4-5H3/b9-8-
InChIKeyNUCYXVQSQFSSPC-HJWRWDBZSA-N
XLogP1.11
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(3E,5E)-5-fluoro-4-methylocta-3,5-dien-3-yl]-1-methylhydrazine
CID 135190259
2-[Amino(methyl)amino]-5-fluoro-6-methylcyclohepta-1,4,6-trien-1-amine
CID 145318050
1-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]-1-methylhydrazine
CID 89277680
1-methyl-1-[(Z)-4-methylidenehex-2-en-2-yl]hydrazine
CID 89351732
6-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-3,4-dihydro-1H-pyridazine
CID 89518303
(3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine
CID 126628318
1-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-1-methylhydrazine
CID 126629500
1-methyl-1-[(3E,5Z)-7-methylocta-3,5,7-trien-4-yl]hydrazine
CID 129065984
(2E,4Z,6E)-7-[amino(prop-2-enyl)amino]-3-methylocta-2,4,6-trien-2-amine
CID 138535091
(2E,4Z,6E)-7-[amino(butan-2-yl)amino]-4,5-dimethylocta-2,4,6-trien-2-amine
CID 138535108
1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine
CID 139479192
N,2-dimethyl-3-prop-1-en-2-yl-5,6-dihydro-1H-pyridazin-4-amine;ethane
CID 143839514

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine (CID 143987367) is (3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine is C=C(C)/C(N)=C(\C(=C)C)N(C)N.
What is the InChIKey of (3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine?
The InChIKey is NUCYXVQSQFSSPC-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)8(10)9(7(3)4)12(5)11/h1,3,10-11H2,2,4-5H3/b9-8-.
What are the key properties of (3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine?
(3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine has a molecular weight of 167.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[amino(methyl)amino]-2,5-dimethylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 143987367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).