N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine

C16H31NO — CID 103074404

IUPACN-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC1CCCCC1CC
InChIInChI=1S/C16H31NO/c1-6-14-9-7-8-10-15(14)18-12-13(2)11-17-16(3,4)5/h14-15,17H,2,6-12H2,1,3-5H3
InChIKeyBHQMMFLKEURKHL-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.92
Rot. Bonds6

About N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine

N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine (PubChem CID 103074404) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
PubChem CID103074404
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC1CCCCC1CC
InChIInChI=1S/C16H31NO/c1-6-14-9-7-8-10-15(14)18-12-13(2)11-17-16(3,4)5/h14-15,17H,2,6-12H2,1,3-5H3
InChIKeyBHQMMFLKEURKHL-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074325
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074395
N-[2-[(4-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074396
2-[(4-methylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103074397
N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074398
2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074399
N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074401
N-ethyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074402
N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074403
2-[(2-ethylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074405
2-[(2-Ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074406
2-[(2-ethylcyclohexyl)oxymethyl]-N-methylprop-2-en-1-amine
CID 103074407

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine (CID 103074404) is N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)COC1CCCCC1CC.
What is the InChIKey of N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The InChIKey is BHQMMFLKEURKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-14-9-7-8-10-15(14)18-12-13(2)11-17-16(3,4)5/h14-15,17H,2,6-12H2,1,3-5H3.
What are the key properties of N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine?
N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103074404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).