1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine

C18H40N2O2 — CID 175628361

IUPAC1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine
SMILESCC(COC(C)(C)CCC(C)(C)OCCCN(C)C)N(C)C
InChIInChI=1S/C18H40N2O2/c1-16(20(8)9)15-22-18(4,5)12-11-17(2,3)21-14-10-13-19(6)7/h16H,10-15H2,1-9H3
InChIKeyLKLWFODZPWXRSI-UHFFFAOYSA-N
MW316.53 g/mol
LogP3.26
Rot. Bonds12

About 1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine

1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine (PubChem CID 175628361) has the molecular formula C18H40N2O2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine
PubChem CID175628361
Molecular FormulaC18H40N2O2
Molecular Weight316.53 g/mol
Exact Mass316.31
IUPAC Name1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine
SMILESCC(COC(C)(C)CCC(C)(C)OCCCN(C)C)N(C)C
InChIInChI=1S/C18H40N2O2/c1-16(20(8)9)15-22-18(4,5)12-11-17(2,3)21-14-10-13-19(6)7/h16H,10-15H2,1-9H3
InChIKeyLKLWFODZPWXRSI-UHFFFAOYSA-N
XLogP3.26
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(2-methylpentan-2-yloxy)-N-propoxypropan-1-amine
CID 155085385
[methyl-[3-(2-methylpentan-2-yloxy)propyl]amino] hypoiodite
CID 155468015
4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine
CID 170237295
CID 59347745
CID 59347745
2-butoxy-5-ethyl-2,5,6-trimethyloctane
CID 91518034
N,N-dimethyl-3-pentan-3-yloxypropan-1-amine
CID 126576057
2-dodecoxy-2-methyltetradecane
CID 158074564
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
3-(dimethylamino)propyl 2-methyl-2-sulfanylpropanoate
CID 163919328
3-methyl-3-(2-methylpropoxy)-1-propoxybutane
CID 87248462
ethane;5-methoxy-N,N,4-trimethylpentan-1-amine
CID 143609953
2,2,5-trimethyl-5-(3-methylbutoxy)hexane
CID 123343377

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine (CID 175628361) is 1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine is CC(COC(C)(C)CCC(C)(C)OCCCN(C)C)N(C)C.
What is the InChIKey of 1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine?
The InChIKey is LKLWFODZPWXRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O2/c1-16(20(8)9)15-22-18(4,5)12-11-17(2,3)21-14-10-13-19(6)7/h16H,10-15H2,1-9H3.
What are the key properties of 1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine?
1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine has a molecular weight of 316.53 g/mol, XLogP of 3.26, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(dimethylamino)propoxy]-2,5-dimethylhexan-2-yl]oxy-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 175628361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).