(1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine

C12H25N3 — CID 130256645

IUPAC(1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine
SMILESCN(N)/C1=C(\N)CC(C)(C)CCCCC1
InChIInChI=1S/C12H25N3/c1-12(2)8-6-4-5-7-11(15(3)14)10(13)9-12/h4-9,13-14H2,1-3H3/b11-10-
InChIKeyZHBJXVXSASISGQ-KHPPLWFESA-N
MW211.35 g/mol
LogP2.34
Rot. Bonds1

About (1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine

(1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine (PubChem CID 130256645) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine.

Molecular Properties

Compound Name(1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine
PubChem CID130256645
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine
SMILESCN(N)/C1=C(\N)CC(C)(C)CCCCC1
InChIInChI=1S/C12H25N3/c1-12(2)8-6-4-5-7-11(15(3)14)10(13)9-12/h4-9,13-14H2,1-3H3/b11-10-
InChIKeyZHBJXVXSASISGQ-KHPPLWFESA-N
XLogP2.34
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.34
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 (1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine?
The IUPAC name of (1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine (CID 130256645) is (1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine.
What is the SMILES notation for (1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine?
The canonical SMILES for (1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine is CN(N)/C1=C(\N)CC(C)(C)CCCCC1.
What is the InChIKey of (1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine?
The InChIKey is ZHBJXVXSASISGQ-KHPPLWFESA-N. The full InChI is InChI=1S/C12H25N3/c1-12(2)8-6-4-5-7-11(15(3)14)10(13)9-12/h4-9,13-14H2,1-3H3/b11-10-.
What are the key properties of (1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine?
(1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine is sourced from PubChem (CID 130256645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).