2-[amino(methyl)amino]-7-methylcyclohepten-1-amine

C9H19N3 — CID 139470196

IUPAC2-[amino(methyl)amino]-7-methylcyclohepten-1-amine
SMILESCC1CCCCC(N(C)N)=C1N
InChIInChI=1S/C9H19N3/c1-7-5-3-4-6-8(9(7)10)12(2)11/h7H,3-6,10-11H2,1-2H3
InChIKeyXETDHVVFWZGHJS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.17
Rot. Bonds1

About 2-[amino(methyl)amino]-7-methylcyclohepten-1-amine

2-[amino(methyl)amino]-7-methylcyclohepten-1-amine (PubChem CID 139470196) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-7-methylcyclohepten-1-amine.

Molecular Properties

Compound Name2-[amino(methyl)amino]-7-methylcyclohepten-1-amine
PubChem CID139470196
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-[amino(methyl)amino]-7-methylcyclohepten-1-amine
SMILESCC1CCCCC(N(C)N)=C1N
InChIInChI=1S/C9H19N3/c1-7-5-3-4-6-8(9(7)10)12(2)11/h7H,3-6,10-11H2,1-2H3
InChIKeyXETDHVVFWZGHJS-UHFFFAOYSA-N
XLogP1.17
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.17
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 2-[amino(methyl)amino]-7-methylcyclohepten-1-amine?
The IUPAC name of 2-[amino(methyl)amino]-7-methylcyclohepten-1-amine (CID 139470196) is 2-[amino(methyl)amino]-7-methylcyclohepten-1-amine.
What is the SMILES notation for 2-[amino(methyl)amino]-7-methylcyclohepten-1-amine?
The canonical SMILES for 2-[amino(methyl)amino]-7-methylcyclohepten-1-amine is CC1CCCCC(N(C)N)=C1N.
What is the InChIKey of 2-[amino(methyl)amino]-7-methylcyclohepten-1-amine?
The InChIKey is XETDHVVFWZGHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7-5-3-4-6-8(9(7)10)12(2)11/h7H,3-6,10-11H2,1-2H3.
What are the key properties of 2-[amino(methyl)amino]-7-methylcyclohepten-1-amine?
2-[amino(methyl)amino]-7-methylcyclohepten-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]-7-methylcyclohepten-1-amine is sourced from PubChem (CID 139470196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).