5-methyl-1-propoxy-N-propylhexan-2-amine

C13H29NO — CID 62605077

IUPAC5-methyl-1-propoxy-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)COCCC
InChIInChI=1S/C13H29NO/c1-5-9-14-13(8-7-12(3)4)11-15-10-6-2/h12-14H,5-11H2,1-4H3
InChIKeyCNQJFHCLTWKVGB-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds10

About 5-methyl-1-propoxy-N-propylhexan-2-amine

5-methyl-1-propoxy-N-propylhexan-2-amine (PubChem CID 62605077) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 5-methyl-1-propoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name5-methyl-1-propoxy-N-propylhexan-2-amine
PubChem CID62605077
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name5-methyl-1-propoxy-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)COCCC
InChIInChI=1S/C13H29NO/c1-5-9-14-13(8-7-12(3)4)11-15-10-6-2/h12-14H,5-11H2,1-4H3
InChIKeyCNQJFHCLTWKVGB-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
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

4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262
4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol
CID 64898660
3-propoxy-2-(propylamino)propan-1-ol
CID 64808128
1-ethoxy-7-methyl-N-propyloctan-4-amine
CID 105127229
5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
CID 103035628
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
1-(2-methylpropoxy)-N-propylbutan-2-amine
CID 62041041
4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165477
N,6-dimethyl-1-propoxyheptan-3-amine
CID 105126755
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
CID 104560529
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067
1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
CID 55095563

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propoxy-N-propylhexan-2-amine?
The IUPAC name of 5-methyl-1-propoxy-N-propylhexan-2-amine (CID 62605077) is 5-methyl-1-propoxy-N-propylhexan-2-amine.
What is the SMILES notation for 5-methyl-1-propoxy-N-propylhexan-2-amine?
The canonical SMILES for 5-methyl-1-propoxy-N-propylhexan-2-amine is CCCNC(CCC(C)C)COCCC.
What is the InChIKey of 5-methyl-1-propoxy-N-propylhexan-2-amine?
The InChIKey is CNQJFHCLTWKVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-9-14-13(8-7-12(3)4)11-15-10-6-2/h12-14H,5-11H2,1-4H3.
What are the key properties of 5-methyl-1-propoxy-N-propylhexan-2-amine?
5-methyl-1-propoxy-N-propylhexan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propoxy-N-propylhexan-2-amine is sourced from PubChem (CID 62605077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).