3-hexoxy-N-propylpropan-1-amine

C12H27NO — CID 62456253

IUPAC3-hexoxy-N-propylpropan-1-amine
SMILESCCCCCCOCCCNCCC
InChIInChI=1S/C12H27NO/c1-3-5-6-7-11-14-12-8-10-13-9-4-2/h13H,3-12H2,1-2H3
InChIKeyGEJVGVXWHSFUGK-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds11

About 3-hexoxy-N-propylpropan-1-amine

3-hexoxy-N-propylpropan-1-amine (PubChem CID 62456253) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-hexoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-hexoxy-N-propylpropan-1-amine
PubChem CID62456253
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-hexoxy-N-propylpropan-1-amine
SMILESCCCCCCOCCCNCCC
InChIInChI=1S/C12H27NO/c1-3-5-6-7-11-14-12-8-10-13-9-4-2/h13H,3-12H2,1-2H3
InChIKeyGEJVGVXWHSFUGK-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pentoxy-N-propylpropan-1-amine
CID 62451352
5-pentoxy-N-propylpentan-1-amine
CID 62451179
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
CID 159860963
CID 159860963
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
7-ethoxy-N-propylheptan-1-amine
CID 163393813
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
N-propylhexadecan-1-amine
CID 18792182

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-N-propylpropan-1-amine?
The IUPAC name of 3-hexoxy-N-propylpropan-1-amine (CID 62456253) is 3-hexoxy-N-propylpropan-1-amine.
What is the SMILES notation for 3-hexoxy-N-propylpropan-1-amine?
The canonical SMILES for 3-hexoxy-N-propylpropan-1-amine is CCCCCCOCCCNCCC.
What is the InChIKey of 3-hexoxy-N-propylpropan-1-amine?
The InChIKey is GEJVGVXWHSFUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-3-5-6-7-11-14-12-8-10-13-9-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 3-hexoxy-N-propylpropan-1-amine?
3-hexoxy-N-propylpropan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-N-propylpropan-1-amine is sourced from PubChem (CID 62456253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).