(Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine

C13H29N3 — CID 166966670

IUPAC(Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine
SMILESCC/C(=C(/N)CCC(C)C(C)C)N(N)CC
InChIInChI=1S/C13H29N3/c1-6-13(16(15)7-2)12(14)9-8-11(5)10(3)4/h10-11H,6-9,14-15H2,1-5H3/b13-12-
InChIKeyROPRBPOUHHASFK-SEYXRHQNSA-N
MW227.40 g/mol
LogP2.83
Rot. Bonds7

About (Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine

(Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine (PubChem CID 166966670) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is (Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine.

Molecular Properties

Compound Name(Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine
PubChem CID166966670
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name(Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine
SMILESCC/C(=C(/N)CCC(C)C(C)C)N(N)CC
InChIInChI=1S/C13H29N3/c1-6-13(16(15)7-2)12(14)9-8-11(5)10(3)4/h10-11H,6-9,14-15H2,1-5H3/b13-12-
InChIKeyROPRBPOUHHASFK-SEYXRHQNSA-N
XLogP2.83
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.83
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'}

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Related Compounds

2-[Amino(ethyl)amino]-7-methylcyclohepten-1-amine
CID 139470160
2-[Amino(ethyl)amino]-7-ethylcyclohepten-1-amine
CID 139470185
2-[Amino(methyl)amino]-7-methylcyclohepten-1-amine
CID 139470196
2-[Amino(methyl)amino]-7-ethylcyclohepten-1-amine
CID 139470215
(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 145240224
(4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine
CID 155152278
(1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine
CID 166730144
(1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine
CID 166804740
(1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine
CID 167210494
(Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine
CID 167300722
(1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine
CID 170274073
2-[Amino(propan-2-yl)amino]-8-propan-2-ylcycloocten-1-amine
CID 173783141

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine?
The IUPAC name of (Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine (CID 166966670) is (Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine.
What is the SMILES notation for (Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine?
The canonical SMILES for (Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine is CC/C(=C(/N)CCC(C)C(C)C)N(N)CC.
What is the InChIKey of (Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine?
The InChIKey is ROPRBPOUHHASFK-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-13(16(15)7-2)12(14)9-8-11(5)10(3)4/h10-11H,6-9,14-15H2,1-5H3/b13-12-.
What are the key properties of (Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine?
(Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine has a molecular weight of 227.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine is sourced from PubChem (CID 166966670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).