6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine

C16H35NO — CID 103285710

IUPAC6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine
SMILESCCCC(C)COCCCCCCNCC(C)C
InChIInChI=1S/C16H35NO/c1-5-10-16(4)14-18-12-9-7-6-8-11-17-13-15(2)3/h15-17H,5-14H2,1-4H3
InChIKeyZRXHPXHAAQNHEO-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.25
Rot. Bonds13

About 6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine

6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 103285710) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine
PubChem CID103285710
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine
SMILESCCCC(C)COCCCCCCNCC(C)C
InChIInChI=1S/C16H35NO/c1-5-10-16(4)14-18-12-9-7-6-8-11-17-13-15(2)3/h15-17H,5-14H2,1-4H3
InChIKeyZRXHPXHAAQNHEO-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.25
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

5-(2-methylpentoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103285585
N-ethyl-5-(2-methylpentoxy)pentan-1-amine
CID 103285584
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
N-[2-(2-methylpentoxy)ethyl]butan-1-amine
CID 103285806
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
N-(5-methoxypentyl)-2-methylpentan-1-amine
CID 103920788
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine (CID 103285710) is 6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine is CCCC(C)COCCCCCCNCC(C)C.
What is the InChIKey of 6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is ZRXHPXHAAQNHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-10-16(4)14-18-12-9-7-6-8-11-17-13-15(2)3/h15-17H,5-14H2,1-4H3.
What are the key properties of 6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine?
6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.25, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 103285710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).