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

C10H21N3 — CID 139470215

IUPAC2-[amino(methyl)amino]-7-ethylcyclohepten-1-amine
SMILESCCC1CCCCC(N(C)N)=C1N
InChIInChI=1S/C10H21N3/c1-3-8-6-4-5-7-9(10(8)11)13(2)12/h8H,3-7,11-12H2,1-2H3
InChIKeyHLCVJEJCWPYQNL-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.56
Rot. Bonds2

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

2-[amino(methyl)amino]-7-ethylcyclohepten-1-amine (PubChem CID 139470215) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-7-ethylcyclohepten-1-amine.

Molecular Properties

Compound Name2-[amino(methyl)amino]-7-ethylcyclohepten-1-amine
PubChem CID139470215
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-[amino(methyl)amino]-7-ethylcyclohepten-1-amine
SMILESCCC1CCCCC(N(C)N)=C1N
InChIInChI=1S/C10H21N3/c1-3-8-6-4-5-7-9(10(8)11)13(2)12/h8H,3-7,11-12H2,1-2H3
InChIKeyHLCVJEJCWPYQNL-UHFFFAOYSA-N
XLogP1.56
TPSA55.28 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 ≤ 51.56
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-ethylcyclohepten-1-amine?
The IUPAC name of 2-[amino(methyl)amino]-7-ethylcyclohepten-1-amine (CID 139470215) is 2-[amino(methyl)amino]-7-ethylcyclohepten-1-amine.
What is the SMILES notation for 2-[amino(methyl)amino]-7-ethylcyclohepten-1-amine?
The canonical SMILES for 2-[amino(methyl)amino]-7-ethylcyclohepten-1-amine is CCC1CCCCC(N(C)N)=C1N.
What is the InChIKey of 2-[amino(methyl)amino]-7-ethylcyclohepten-1-amine?
The InChIKey is HLCVJEJCWPYQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-8-6-4-5-7-9(10(8)11)13(2)12/h8H,3-7,11-12H2,1-2H3.
What are the key properties of 2-[amino(methyl)amino]-7-ethylcyclohepten-1-amine?
2-[amino(methyl)amino]-7-ethylcyclohepten-1-amine has a molecular weight of 183.30 g/mol, XLogP of 1.56, 2 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-ethylcyclohepten-1-amine is sourced from PubChem (CID 139470215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).