N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine

C14H31NO — CID 164557205

IUPACN-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine
SMILESCCCN(C)CC(CC)OCCCC(C)C
InChIInChI=1S/C14H31NO/c1-6-10-15(5)12-14(7-2)16-11-8-9-13(3)4/h13-14H,6-12H2,1-5H3
InChIKeyJPKQTNYSRBUINN-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.56
Rot. Bonds10

About N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine

N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine (PubChem CID 164557205) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine
PubChem CID164557205
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine
SMILESCCCN(C)CC(CC)OCCCC(C)C
InChIInChI=1S/C14H31NO/c1-6-10-15(5)12-14(7-2)16-11-8-9-13(3)4/h13-14H,6-12H2,1-5H3
InChIKeyJPKQTNYSRBUINN-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.56
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-(4-methylpentoxy)pentanenitrile
CID 43368158
1-(2-butoxybutoxy)-17-methyloctadecane
CID 126586639
N,N-dimethyl-3-pentan-3-yloxypropan-1-amine
CID 126576057
2-(4-methylpentoxy)propane-1,3-diol
CID 141356566
1-hexan-3-yloxy-4-methylhexane
CID 142047921
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
5-pentan-3-yloxypentan-2-ol
CID 175260271
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine
CID 143703435
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine
CID 106114512
N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine
CID 164906899
N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine
CID 171725800

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine?
The IUPAC name of N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine (CID 164557205) is N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine.
What is the SMILES notation for N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine?
The canonical SMILES for N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine is CCCN(C)CC(CC)OCCCC(C)C.
What is the InChIKey of N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine?
The InChIKey is JPKQTNYSRBUINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-10-15(5)12-14(7-2)16-11-8-9-13(3)4/h13-14H,6-12H2,1-5H3.
What are the key properties of N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine?
N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpentoxy)-N-propylbutan-1-amine is sourced from PubChem (CID 164557205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).