N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine

C16H35NO — CID 142932877

IUPACN-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine
SMILESCCCCN(CC)CCCOC(CCC)CCC
InChIInChI=1S/C16H35NO/c1-5-9-13-17(8-4)14-10-15-18-16(11-6-2)12-7-3/h16H,5-15H2,1-4H3
InChIKeyWNBOAPKMUGJADH-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.48
Rot. Bonds13

About N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine

N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine (PubChem CID 142932877) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine
PubChem CID142932877
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine
SMILESCCCCN(CC)CCCOC(CCC)CCC
InChIInChI=1S/C16H35NO/c1-5-9-13-17(8-4)14-10-15-18-16(11-6-2)12-7-3/h16H,5-15H2,1-4H3
InChIKeyWNBOAPKMUGJADH-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-heptadecan-9-yloxy-N,N-dimethylpropan-1-amine
CID 140938522
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine
CID 156884772
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
2-[2-(diethylamino)ethoxy]-N-ethylpentan-1-amine
CID 83044524
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
1-[(2S)-2-octadecoxypentoxy]octadecane
CID 173435478
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine?
The IUPAC name of N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine (CID 142932877) is N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine.
What is the SMILES notation for N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine?
The canonical SMILES for N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine is CCCCN(CC)CCCOC(CCC)CCC.
What is the InChIKey of N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine?
The InChIKey is WNBOAPKMUGJADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-9-13-17(8-4)14-10-15-18-16(11-6-2)12-7-3/h16H,5-15H2,1-4H3.
What are the key properties of N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine?
N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.48, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine is sourced from PubChem (CID 142932877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).