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

C11H23N3 — CID 166804740

IUPAC(1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine
SMILESCC1CC/C(N)=C(/N(C)N)CCC1C
InChIInChI=1S/C11H23N3/c1-8-4-6-10(12)11(14(3)13)7-5-9(8)2/h8-9H,4-7,12-13H2,1-3H3/b11-10-
InChIKeyMIULIEBWIBPFQA-KHPPLWFESA-N
MW197.33 g/mol
LogP1.81
Rot. Bonds1

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

(1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine (PubChem CID 166804740) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine.

Molecular Properties

Compound Name(1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine
PubChem CID166804740
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine
SMILESCC1CC/C(N)=C(/N(C)N)CCC1C
InChIInChI=1S/C11H23N3/c1-8-4-6-10(12)11(14(3)13)7-5-9(8)2/h8-9H,4-7,12-13H2,1-3H3/b11-10-
InChIKeyMIULIEBWIBPFQA-KHPPLWFESA-N
XLogP1.81
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.81
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]-5,6-dimethylcycloocten-1-amine?
The IUPAC name of (1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine (CID 166804740) is (1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine.
What is the SMILES notation for (1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine?
The canonical SMILES for (1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine is CC1CC/C(N)=C(/N(C)N)CCC1C.
What is the InChIKey of (1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine?
The InChIKey is MIULIEBWIBPFQA-KHPPLWFESA-N. The full InChI is InChI=1S/C11H23N3/c1-8-4-6-10(12)11(14(3)13)7-5-9(8)2/h8-9H,4-7,12-13H2,1-3H3/b11-10-.
What are the key properties of (1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine?
(1Z)-2-[amino(methyl)amino]-5,6-dimethylcycloocten-1-amine has a molecular weight of 197.33 g/mol, XLogP of 1.81, 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]-5,6-dimethylcycloocten-1-amine is sourced from PubChem (CID 166804740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).