N-ethyl-2-octoxybutan-1-amine

C14H31NO — CID 62456263

IUPACN-ethyl-2-octoxybutan-1-amine
SMILESCCCCCCCCOC(CC)CNCC
InChIInChI=1S/C14H31NO/c1-4-7-8-9-10-11-12-16-14(5-2)13-15-6-3/h14-15H,4-13H2,1-3H3
InChIKeyUQNQPXPVWJDTKY-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.75
Rot. Bonds12

About N-ethyl-2-octoxybutan-1-amine

N-ethyl-2-octoxybutan-1-amine (PubChem CID 62456263) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-ethyl-2-octoxybutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-octoxybutan-1-amine
PubChem CID62456263
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-ethyl-2-octoxybutan-1-amine
SMILESCCCCCCCCOC(CC)CNCC
InChIInChI=1S/C14H31NO/c1-4-7-8-9-10-11-12-16-14(5-2)13-15-6-3/h14-15H,4-13H2,1-3H3
InChIKeyUQNQPXPVWJDTKY-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.75
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

N-ethyl-3-methoxy-2-pentoxypropan-1-amine
CID 103228001
1-pentan-3-yloxydecane
CID 173279604
N-ethyl-2-(2-methoxyethoxy)butan-1-amine
CID 62457499
2-hexoxy-3-methoxy-N-propylpropan-1-amine
CID 103227913
3-nonoxypentan-1-ol
CID 141114457
3,7-didodecoxydodecane
CID 123502949
N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958415
1-(4-octoxyhexoxy)nonane
CID 173430678
N'-(2,3-dihexadecoxypropyl)-N-[2-[2-(2,3-dihexadecoxypropylamino)ethylamino]ethyl]butane-1,4-diamine
CID 122684129
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
2-butoxy-N-ethylpropan-1-amine
CID 62449884

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-octoxybutan-1-amine?
The IUPAC name of N-ethyl-2-octoxybutan-1-amine (CID 62456263) is N-ethyl-2-octoxybutan-1-amine.
What is the SMILES notation for N-ethyl-2-octoxybutan-1-amine?
The canonical SMILES for N-ethyl-2-octoxybutan-1-amine is CCCCCCCCOC(CC)CNCC.
What is the InChIKey of N-ethyl-2-octoxybutan-1-amine?
The InChIKey is UQNQPXPVWJDTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-7-8-9-10-11-12-16-14(5-2)13-15-6-3/h14-15H,4-13H2,1-3H3.
What are the key properties of N-ethyl-2-octoxybutan-1-amine?
N-ethyl-2-octoxybutan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.75, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-octoxybutan-1-amine is sourced from PubChem (CID 62456263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).