(1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine

C12H25N3 — CID 167210494

IUPAC(1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine
SMILESCCN(N)/C1=C(\N)CCC(C)C(C)CC1
InChIInChI=1S/C12H25N3/c1-4-15(14)12-8-6-10(3)9(2)5-7-11(12)13/h9-10H,4-8,13-14H2,1-3H3/b12-11-
InChIKeyXMNAXAODWXMLSU-QXMHVHEDSA-N
MW211.35 g/mol
LogP2.20
Rot. Bonds2

About (1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine

(1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine (PubChem CID 167210494) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine.

Molecular Properties

Compound Name(1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine
PubChem CID167210494
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine
SMILESCCN(N)/C1=C(\N)CCC(C)C(C)CC1
InChIInChI=1S/C12H25N3/c1-4-15(14)12-8-6-10(3)9(2)5-7-11(12)13/h9-10H,4-8,13-14H2,1-3H3/b12-11-
InChIKeyXMNAXAODWXMLSU-QXMHVHEDSA-N
XLogP2.20
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.20
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(ethyl)amino]-5,6-dimethylcycloocten-1-amine?
The IUPAC name of (1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine (CID 167210494) is (1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine.
What is the SMILES notation for (1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine?
The canonical SMILES for (1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine is CCN(N)/C1=C(\N)CCC(C)C(C)CC1.
What is the InChIKey of (1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine?
The InChIKey is XMNAXAODWXMLSU-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-15(14)12-8-6-10(3)9(2)5-7-11(12)13/h9-10H,4-8,13-14H2,1-3H3/b12-11-.
What are the key properties of (1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine?
(1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[amino(ethyl)amino]-5,6-dimethylcycloocten-1-amine is sourced from PubChem (CID 167210494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).