N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine

C15H29NO — CID 103074398

IUPACN-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC1CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-12-6-8-14(9-7-12)17-11-13(2)10-16-15(3,4)5/h12,14,16H,2,6-11H2,1,3-5H3
InChIKeyVMDYJMHTUPVKSX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds5

About N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine

N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine (PubChem CID 103074398) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
PubChem CID103074398
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC1CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-12-6-8-14(9-7-12)17-11-13(2)10-16-15(3,4)5/h12,14,16H,2,6-11H2,1,3-5H3
InChIKeyVMDYJMHTUPVKSX-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.53
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

2-methyl-N-[3-(4-methylcyclohexyl)oxypropyl]propan-2-amine
CID 62445283
2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074325
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
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
2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074399
2-[(4-Methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074400
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine (CID 103074398) is N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)COC1CCC(C)CC1.
What is the InChIKey of N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The InChIKey is VMDYJMHTUPVKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-6-8-14(9-7-12)17-11-13(2)10-16-15(3,4)5/h12,14,16H,2,6-11H2,1,3-5H3.
What are the key properties of N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 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-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103074398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).