N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine

C13H25N — CID 91010030

IUPACN,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine
SMILESCC=C1CC(NCC)C(C)C1(C)CC
InChIInChI=1S/C13H25N/c1-6-11-9-12(14-8-3)10(4)13(11,5)7-2/h6,10,12,14H,7-9H2,1-5H3
InChIKeyCTBNKTSAQBVKHM-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds3

About N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine

N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine (PubChem CID 91010030) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine
PubChem CID91010030
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine
SMILESCC=C1CC(NCC)C(C)C1(C)CC
InChIInChI=1S/C13H25N/c1-6-11-9-12(14-8-3)10(4)13(11,5)7-2/h6,10,12,14H,7-9H2,1-5H3
InChIKeyCTBNKTSAQBVKHM-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine (CID 91010030) is N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine is CC=C1CC(NCC)C(C)C1(C)CC.
What is the InChIKey of N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine?
The InChIKey is CTBNKTSAQBVKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-11-9-12(14-8-3)10(4)13(11,5)7-2/h6,10,12,14H,7-9H2,1-5H3.
What are the key properties of N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine?
N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-4-ethylidene-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 91010030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).