2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine

C11H23N3 — CID 166836316

IUPAC2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine
SMILESCC(C)CN(N)C1=CCC(C)CC1N
InChIInChI=1S/C11H23N3/c1-8(2)7-14(13)11-5-4-9(3)6-10(11)12/h5,8-10H,4,6-7,12-13H2,1-3H3
InChIKeyJUWLRLQDARCUCM-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.46
Rot. Bonds3

About 2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine

2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine (PubChem CID 166836316) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine
PubChem CID166836316
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine
SMILESCC(C)CN(N)C1=CCC(C)CC1N
InChIInChI=1S/C11H23N3/c1-8(2)7-14(13)11-5-4-9(3)6-10(11)12/h5,8-10H,4,6-7,12-13H2,1-3H3
InChIKeyJUWLRLQDARCUCM-UHFFFAOYSA-N
XLogP1.46
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.46
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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Frequently Asked Questions

What is the IUPAC name of 2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine?
The IUPAC name of 2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine (CID 166836316) is 2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine.
What is the SMILES notation for 2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine?
The canonical SMILES for 2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine is CC(C)CN(N)C1=CCC(C)CC1N.
What is the InChIKey of 2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine?
The InChIKey is JUWLRLQDARCUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-8(2)7-14(13)11-5-4-9(3)6-10(11)12/h5,8-10H,4,6-7,12-13H2,1-3H3.
What are the key properties of 2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine?
2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine has a molecular weight of 197.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(2-methylpropyl)amino]-5-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 166836316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).