N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine

C14H31NO — CID 161233073

IUPACN,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine
SMILESCC(C)CCCOCCN(C)CC(C)(C)C
InChIInChI=1S/C14H31NO/c1-13(2)8-7-10-16-11-9-15(6)12-14(3,4)5/h13H,7-12H2,1-6H3
InChIKeyUYZZGGPWVLUEOP-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.42
Rot. Bonds8

About N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine

N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine (PubChem CID 161233073) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine
PubChem CID161233073
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine
SMILESCC(C)CCCOCCN(C)CC(C)(C)C
InChIInChI=1S/C14H31NO/c1-13(2)8-7-10-16-11-9-15(6)12-14(3,4)5/h13H,7-12H2,1-6H3
InChIKeyUYZZGGPWVLUEOP-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.42
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

N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine
CID 172516818
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
N-[2-(3,3-dimethylbutoxy)ethyl]-N,2,2-trimethylpropan-1-amine
CID 59863709
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine
CID 164906899
N-methyl-3-(4-methylpentoxy)-N-(methylsulfanylmethyl)propan-1-amine
CID 138728387
2-methyl-1-(4-methylpentoxy)propan-2-amine
CID 83158586
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine
CID 115136225
N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine
CID 138728540
2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
CID 79627176
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine (CID 161233073) is N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine is CC(C)CCCOCCN(C)CC(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine?
The InChIKey is UYZZGGPWVLUEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-13(2)8-7-10-16-11-9-15(6)12-14(3,4)5/h13H,7-12H2,1-6H3.
What are the key properties of N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine?
N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine is sourced from PubChem (CID 161233073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).