N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine

C14H27NO — CID 103074325

IUPACN-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC1CCCCC1
InChIInChI=1S/C14H27NO/c1-12(10-15-14(2,3)4)11-16-13-8-6-5-7-9-13/h13,15H,1,5-11H2,2-4H3
InChIKeyLQSYHPJDVMJXCR-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds5

About N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine

N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine (PubChem CID 103074325) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
PubChem CID103074325
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC1CCCCC1
InChIInChI=1S/C14H27NO/c1-12(10-15-14(2,3)4)11-16-13-8-6-5-7-9-13/h13,15H,1,5-11H2,2-4H3
InChIKeyLQSYHPJDVMJXCR-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-hexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 67485005
2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074323
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
2-(cyclohexyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074328
2-(cyclopentyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074329
2-(cyclopentyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074331
N-tert-butyl-2-(cyclopentyloxymethyl)prop-2-en-1-amine
CID 103074332
2-(cyclopentyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074333
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074395
2-[(4-methylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103074397

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine (CID 103074325) is N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COC1CCCCC1.
What is the InChIKey of N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine?
The InChIKey is LQSYHPJDVMJXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(10-15-14(2,3)4)11-16-13-8-6-5-7-9-13/h13,15H,1,5-11H2,2-4H3.
What are the key properties of N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).