2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine

C14H27NO — CID 103074399

IUPAC2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COC1CCC(C)CC1
InChIInChI=1S/C14H27NO/c1-4-9-15-10-13(3)11-16-14-7-5-12(2)6-8-14/h12,14-15H,3-11H2,1-2H3
InChIKeyBJOGQAQZGLGRTL-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds7

About 2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine

2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine (PubChem CID 103074399) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
PubChem CID103074399
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COC1CCC(C)CC1
InChIInChI=1S/C14H27NO/c1-4-9-15-10-13(3)11-16-14-7-5-12(2)6-8-14/h12,14-15H,3-11H2,1-2H3
InChIKeyBJOGQAQZGLGRTL-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Methylprop-2-enoxy)-3-propylpiperidine
CID 156206985
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
2-(cyclohexyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074328
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]prop-2-en-1-amine
CID 103074400
N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074401

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine?
The IUPAC name of 2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine (CID 103074399) is 2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine is C=C(CNCCC)COC1CCC(C)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine?
The InChIKey is BJOGQAQZGLGRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-9-15-10-13(3)11-16-14-7-5-12(2)6-8-14/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine?
2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103074399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).