2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine

C14H27NO — CID 103074681

IUPAC2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COC1CCCCCC1
InChIInChI=1S/C14H27NO/c1-3-10-15-11-13(2)12-16-14-8-6-4-5-7-9-14/h14-15H,2-12H2,1H3
InChIKeyPPCKGTOUYHBZDI-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds7

About 2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine

2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine (PubChem CID 103074681) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine
PubChem CID103074681
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COC1CCCCCC1
InChIInChI=1S/C14H27NO/c1-3-10-15-11-13(2)12-16-14-8-6-4-5-7-9-14/h14-15H,2-12H2,1H3
InChIKeyPPCKGTOUYHBZDI-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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

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
2-(cyclopentyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074329
2-(cyclopentyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074333
N-ethyl-2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074408
2-[(2-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074412
N-ethyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074502
2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074503
N-tert-butyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074504

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine (CID 103074681) is 2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)COC1CCCCCC1.
What is the InChIKey of 2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine?
The InChIKey is PPCKGTOUYHBZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-10-15-11-13(2)12-16-14-8-6-4-5-7-9-14/h14-15H,2-12H2,1H3.
What are the key properties of 2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine?
2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103074681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).