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

C14H29NO — CID 103074512

IUPAC2-(heptoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCCCCCCC
InChIInChI=1S/C14H29NO/c1-4-6-7-8-9-11-16-13-14(3)12-15-10-5-2/h15H,3-13H2,1-2H3
InChIKeyXBYINCGKUQPGKU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.53
Rot. Bonds12

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

2-(heptoxymethyl)-N-propylprop-2-en-1-amine (PubChem CID 103074512) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(heptoxymethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(heptoxymethyl)-N-propylprop-2-en-1-amine
PubChem CID103074512
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(heptoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCCCCCCC
InChIInChI=1S/C14H29NO/c1-4-6-7-8-9-11-16-13-14(3)12-15-10-5-2/h15H,3-13H2,1-2H3
InChIKeyXBYINCGKUQPGKU-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.53
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

N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine
CID 139904426
N-methyl-9-(2-methylprop-2-enoxy)nonan-1-amine
CID 169647721
2-[2-(2-Methylprop-2-enoxy)ethyl]piperidine
CID 56830001
(2S)-2-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320866
(2R)-2-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320868
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

Frequently Asked Questions

What is the IUPAC name of 2-(heptoxymethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(heptoxymethyl)-N-propylprop-2-en-1-amine (CID 103074512) is 2-(heptoxymethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(heptoxymethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(heptoxymethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)COCCCCCCC.
What is the InChIKey of 2-(heptoxymethyl)-N-propylprop-2-en-1-amine?
The InChIKey is XBYINCGKUQPGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-6-7-8-9-11-16-13-14(3)12-15-10-5-2/h15H,3-13H2,1-2H3.
What are the key properties of 2-(heptoxymethyl)-N-propylprop-2-en-1-amine?
2-(heptoxymethyl)-N-propylprop-2-en-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.53, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptoxymethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103074512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).