(1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine

C10H21N3 — CID 138546916

IUPAC(1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine
SMILESCN/C1=C(\N(C)N)CCCCCC1
InChIInChI=1S/C10H21N3/c1-12-9-7-5-3-4-6-8-10(9)13(2)11/h12H,3-8,11H2,1-2H3/b10-9-
InChIKeyNGBHVNTZIUTKAQ-KTKRTIGZSA-N
MW183.30 g/mol
LogP1.58
Rot. Bonds2

About (1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine

(1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine (PubChem CID 138546916) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is (1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine.

Molecular Properties

Compound Name(1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine
PubChem CID138546916
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name(1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine
SMILESCN/C1=C(\N(C)N)CCCCCC1
InChIInChI=1S/C10H21N3/c1-12-9-7-5-3-4-6-8-10(9)13(2)11/h12H,3-8,11H2,1-2H3/b10-9-
InChIKeyNGBHVNTZIUTKAQ-KTKRTIGZSA-N
XLogP1.58
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.58
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]-N-methylcycloocten-1-amine?
The IUPAC name of (1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine (CID 138546916) is (1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine.
What is the SMILES notation for (1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine?
The canonical SMILES for (1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine is CN/C1=C(\N(C)N)CCCCCC1.
What is the InChIKey of (1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine?
The InChIKey is NGBHVNTZIUTKAQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H21N3/c1-12-9-7-5-3-4-6-8-10(9)13(2)11/h12H,3-8,11H2,1-2H3/b10-9-.
What are the key properties of (1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine?
(1Z)-2-[amino(methyl)amino]-N-methylcycloocten-1-amine has a molecular weight of 183.30 g/mol, XLogP of 1.58, 2 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]-N-methylcycloocten-1-amine is sourced from PubChem (CID 138546916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).