N,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine

C13H25N — CID 91296238

IUPACN,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine
SMILESC=C1CCC(CCN(CC)CC)CC1
InChIInChI=1S/C13H25N/c1-4-14(5-2)11-10-13-8-6-12(3)7-9-13/h13H,3-11H2,1-2H3
InChIKeyBWNVFWHRFVLNDY-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.46
Rot. Bonds5

About N,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine

N,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine (PubChem CID 91296238) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine
PubChem CID91296238
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine
SMILESC=C1CCC(CCN(CC)CC)CC1
InChIInChI=1S/C13H25N/c1-4-14(5-2)11-10-13-8-6-12(3)7-9-13/h13H,3-11H2,1-2H3
InChIKeyBWNVFWHRFVLNDY-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
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,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine?
The IUPAC name of N,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine (CID 91296238) is N,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine is C=C1CCC(CCN(CC)CC)CC1.
What is the InChIKey of N,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine?
The InChIKey is BWNVFWHRFVLNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-14(5-2)11-10-13-8-6-12(3)7-9-13/h13H,3-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine?
N,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methylidenecyclohexyl)ethanamine is sourced from PubChem (CID 91296238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).