(1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine

C12H26N4 — CID 166730144

IUPAC(1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine
SMILESCC1CC/C(N(N)C(C)C)=C(/N)CC[C@@H]1N
InChIInChI=1S/C12H26N4/c1-8(2)16(15)12-7-4-9(3)10(13)5-6-11(12)14/h8-10H,4-7,13-15H2,1-3H3/b12-11-/t9?,10-/m0/s1
InChIKeyAMVNCQKKBNNQAL-MHXZTGGQSA-N
MW226.37 g/mol
LogP1.28
Rot. Bonds2

About (1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine

(1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine (PubChem CID 166730144) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is (1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine.

Molecular Properties

Compound Name(1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine
PubChem CID166730144
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name(1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine
SMILESCC1CC/C(N(N)C(C)C)=C(/N)CC[C@@H]1N
InChIInChI=1S/C12H26N4/c1-8(2)16(15)12-7-4-9(3)10(13)5-6-11(12)14/h8-10H,4-7,13-15H2,1-3H3/b12-11-/t9?,10-/m0/s1
InChIKeyAMVNCQKKBNNQAL-MHXZTGGQSA-N
XLogP1.28
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine?
The IUPAC name of (1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine (CID 166730144) is (1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine.
What is the SMILES notation for (1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine?
The canonical SMILES for (1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine is CC1CC/C(N(N)C(C)C)=C(/N)CC[C@@H]1N.
What is the InChIKey of (1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine?
The InChIKey is AMVNCQKKBNNQAL-MHXZTGGQSA-N. The full InChI is InChI=1S/C12H26N4/c1-8(2)16(15)12-7-4-9(3)10(13)5-6-11(12)14/h8-10H,4-7,13-15H2,1-3H3/b12-11-/t9?,10-/m0/s1.
What are the key properties of (1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine?
(1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine has a molecular weight of 226.37 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4Z)-5-[amino(propan-2-yl)amino]-8-methylcyclooct-4-ene-1,4-diamine is sourced from PubChem (CID 166730144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).