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

C10H21N3 — CID 139470160

IUPAC2-[amino(ethyl)amino]-7-methylcyclohepten-1-amine
SMILESCCN(N)C1=C(N)C(C)CCCC1
InChIInChI=1S/C10H21N3/c1-3-13(12)9-7-5-4-6-8(2)10(9)11/h8H,3-7,11-12H2,1-2H3
InChIKeyDTZJNOMHAMOIPD-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.56
Rot. Bonds2

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

2-[amino(ethyl)amino]-7-methylcyclohepten-1-amine (PubChem CID 139470160) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-[amino(ethyl)amino]-7-methylcyclohepten-1-amine.

Molecular Properties

Compound Name2-[amino(ethyl)amino]-7-methylcyclohepten-1-amine
PubChem CID139470160
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-[amino(ethyl)amino]-7-methylcyclohepten-1-amine
SMILESCCN(N)C1=C(N)C(C)CCCC1
InChIInChI=1S/C10H21N3/c1-3-13(12)9-7-5-4-6-8(2)10(9)11/h8H,3-7,11-12H2,1-2H3
InChIKeyDTZJNOMHAMOIPD-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(ethyl)amino]-7-methylcyclohepten-1-amine?
The IUPAC name of 2-[amino(ethyl)amino]-7-methylcyclohepten-1-amine (CID 139470160) is 2-[amino(ethyl)amino]-7-methylcyclohepten-1-amine.
What is the SMILES notation for 2-[amino(ethyl)amino]-7-methylcyclohepten-1-amine?
The canonical SMILES for 2-[amino(ethyl)amino]-7-methylcyclohepten-1-amine is CCN(N)C1=C(N)C(C)CCCC1.
What is the InChIKey of 2-[amino(ethyl)amino]-7-methylcyclohepten-1-amine?
The InChIKey is DTZJNOMHAMOIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-13(12)9-7-5-4-6-8(2)10(9)11/h8H,3-7,11-12H2,1-2H3.
What are the key properties of 2-[amino(ethyl)amino]-7-methylcyclohepten-1-amine?
2-[amino(ethyl)amino]-7-methylcyclohepten-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(ethyl)amino]-7-methylcyclohepten-1-amine is sourced from PubChem (CID 139470160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).