N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine

C17H33N — CID 114477756

IUPACN-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine
SMILESC=C(C)CCC1CC(CC)CCC1CNC(C)C
InChIInChI=1S/C17H33N/c1-6-15-8-10-17(12-18-14(4)5)16(11-15)9-7-13(2)3/h14-18H,2,6-12H2,1,3-5H3
InChIKeyOBKBRLOIADYYFL-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.78
Rot. Bonds7

About N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine

N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 114477756) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine
PubChem CID114477756
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine
SMILESC=C(C)CCC1CC(CC)CCC1CNC(C)C
InChIInChI=1S/C17H33N/c1-6-15-8-10-17(12-18-14(4)5)16(11-15)9-7-13(2)3/h14-18H,2,6-12H2,1,3-5H3
InChIKeyOBKBRLOIADYYFL-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine (CID 114477756) is N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine is C=C(C)CCC1CC(CC)CCC1CNC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is OBKBRLOIADYYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-6-15-8-10-17(12-18-14(4)5)16(11-15)9-7-13(2)3/h14-18H,2,6-12H2,1,3-5H3.
What are the key properties of N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine?
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 251.46 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 114477756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).