4-hexoxy-N-(2-methylpropyl)butan-1-amine

C14H31NO — CID 62455139

IUPAC4-hexoxy-N-(2-methylpropyl)butan-1-amine
SMILESCCCCCCOCCCCNCC(C)C
InChIInChI=1S/C14H31NO/c1-4-5-6-8-11-16-12-9-7-10-15-13-14(2)3/h14-15H,4-13H2,1-3H3
InChIKeyQMWQLUGLYRILBL-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds12

About 4-hexoxy-N-(2-methylpropyl)butan-1-amine

4-hexoxy-N-(2-methylpropyl)butan-1-amine (PubChem CID 62455139) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-hexoxy-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-hexoxy-N-(2-methylpropyl)butan-1-amine
PubChem CID62455139
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name4-hexoxy-N-(2-methylpropyl)butan-1-amine
SMILESCCCCCCOCCCCNCC(C)C
InChIInChI=1S/C14H31NO/c1-4-5-6-8-11-16-12-9-7-10-15-13-14(2)3/h14-15H,4-13H2,1-3H3
InChIKeyQMWQLUGLYRILBL-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine
CID 103285710
5-(2-methylpentoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103285585
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
5-pentoxy-N-propylpentan-1-amine
CID 62451179
2-methyl-N-(2-undecoxyethyl)butan-1-amine
CID 22091443
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-hexoxy-N-(2-methylpropyl)butan-1-amine (CID 62455139) is 4-hexoxy-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-hexoxy-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-hexoxy-N-(2-methylpropyl)butan-1-amine is CCCCCCOCCCCNCC(C)C.
What is the InChIKey of 4-hexoxy-N-(2-methylpropyl)butan-1-amine?
The InChIKey is QMWQLUGLYRILBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-5-6-8-11-16-12-9-7-10-15-13-14(2)3/h14-15H,4-13H2,1-3H3.
What are the key properties of 4-hexoxy-N-(2-methylpropyl)butan-1-amine?
4-hexoxy-N-(2-methylpropyl)butan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62455139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).