(Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine

C9H21N3 — CID 176714914

IUPAC(Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine
SMILESCC/C(N)=C(\C(C)C)N(N)CC
InChIInChI=1S/C9H21N3/c1-5-8(10)9(7(3)4)12(11)6-2/h7H,5-6,10-11H2,1-4H3/b9-8-
InChIKeyDQGGUNCRPXOUJG-HJWRWDBZSA-N
MW171.29 g/mol
LogP1.42
Rot. Bonds4

About (Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine

(Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine (PubChem CID 176714914) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine
PubChem CID176714914
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine
SMILESCC/C(N)=C(\C(C)C)N(N)CC
InChIInChI=1S/C9H21N3/c1-5-8(10)9(7(3)4)12(11)6-2/h7H,5-6,10-11H2,1-4H3/b9-8-
InChIKeyDQGGUNCRPXOUJG-HJWRWDBZSA-N
XLogP1.42
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.42
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

(Z)-3-[amino(ethyl)amino]-7,8-dimethylnon-3-en-4-amine
CID 166966670
1-ethyl-1-[(Z)-2-methylhept-3-en-3-yl]hydrazine
CID 170227673
(Z)-4-[amino(methyl)amino]hex-3-en-3-amine
CID 155417956
(Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol
CID 145119581
(3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine
CID 142546554
(E)-4-methylhex-3-en-3-amine
CID 129020883
bis(N-amino-N-ethylcarbamodithioate);nickel(2+)
CID 4589381
1-butan-2-yl-1-ethyl-2-hydroxyguanidine
CID 76944346
1-[amino(ethyl)amino]ethanamine
CID 54377605
N-ethyl-2,2-dimethylpropanehydrazide
CID 56982363
acetamide;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158250626
2-methylpropanoic acid;propanoic acid;zirconium
CID 175540566

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine?
The IUPAC name of (Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine (CID 176714914) is (Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine.
What is the SMILES notation for (Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine?
The canonical SMILES for (Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine is CC/C(N)=C(\C(C)C)N(N)CC.
What is the InChIKey of (Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine?
The InChIKey is DQGGUNCRPXOUJG-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H21N3/c1-5-8(10)9(7(3)4)12(11)6-2/h7H,5-6,10-11H2,1-4H3/b9-8-.
What are the key properties of (Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine?
(Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine has a molecular weight of 171.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine is sourced from PubChem (CID 176714914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).