N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine

C16H35NO — CID 172516818

IUPACN,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine
SMILESCC(C)CCCCOCCCN(C)CC(C)(C)C
InChIInChI=1S/C16H35NO/c1-15(2)10-7-8-12-18-13-9-11-17(6)14-16(3,4)5/h15H,7-14H2,1-6H3
InChIKeyQPCOQGUYFRCUFN-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.20
Rot. Bonds10

About N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine

N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine (PubChem CID 172516818) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine
PubChem CID172516818
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine
SMILESCC(C)CCCCOCCCN(C)CC(C)(C)C
InChIInChI=1S/C16H35NO/c1-15(2)10-7-8-12-18-13-9-11-17(6)14-16(3,4)5/h15H,7-14H2,1-6H3
InChIKeyQPCOQGUYFRCUFN-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.20
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-[2-(4-methylpentoxy)ethyl]propan-1-amine
CID 161233073
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine
CID 164906899
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
1-[hydroxy-[3-(10-methylundecoxy)propyl]amino]ethane-1,1-diol
CID 54380634
N-methyl-3-(4-methylpentoxy)-N-(methylsulfanylmethyl)propan-1-amine
CID 138728387
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
1-(3,3-dimethylbutoxy)-17-methyloctadecane;1-(4,4-dimethylpentoxy)-15-methylhexadecane
CID 161487633
1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine
CID 115136225
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

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine (CID 172516818) is N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine is CC(C)CCCCOCCCN(C)CC(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine?
The InChIKey is QPCOQGUYFRCUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-15(2)10-7-8-12-18-13-9-11-17(6)14-16(3,4)5/h15H,7-14H2,1-6H3.
What are the key properties of N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine?
N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.20, 10 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-[3-(5-methylhexoxy)propyl]propan-1-amine is sourced from PubChem (CID 172516818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).