(1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine

C13H27N3 — CID 170274073

IUPAC(1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine
SMILESCC1CCC/C(N)=C(/N(N)C(C)C)CCC1
InChIInChI=1S/C13H27N3/c1-10(2)16(15)13-9-5-7-11(3)6-4-8-12(13)14/h10-11H,4-9,14-15H2,1-3H3/b13-12-
InChIKeyXKTWSEWDMNEBFW-SEYXRHQNSA-N
MW225.38 g/mol
LogP2.73
Rot. Bonds2

About (1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine

(1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine (PubChem CID 170274073) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is (1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine.

Molecular Properties

Compound Name(1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine
PubChem CID170274073
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name(1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine
SMILESCC1CCC/C(N)=C(/N(N)C(C)C)CCC1
InChIInChI=1S/C13H27N3/c1-10(2)16(15)13-9-5-7-11(3)6-4-8-12(13)14/h10-11H,4-9,14-15H2,1-3H3/b13-12-
InChIKeyXKTWSEWDMNEBFW-SEYXRHQNSA-N
XLogP2.73
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.73
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(propan-2-yl)amino]-6-methylcyclononen-1-amine?
The IUPAC name of (1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine (CID 170274073) is (1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine.
What is the SMILES notation for (1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine?
The canonical SMILES for (1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine is CC1CCC/C(N)=C(/N(N)C(C)C)CCC1.
What is the InChIKey of (1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine?
The InChIKey is XKTWSEWDMNEBFW-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H27N3/c1-10(2)16(15)13-9-5-7-11(3)6-4-8-12(13)14/h10-11H,4-9,14-15H2,1-3H3/b13-12-.
What are the key properties of (1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine?
(1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[amino(propan-2-yl)amino]-6-methylcyclononen-1-amine is sourced from PubChem (CID 170274073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).