N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine

C18H40N2O — CID 162353486

IUPACN,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine
SMILESCC(C)CCCN(C)C(C)OC(C)N(C)CCCC(C)C
InChIInChI=1S/C18H40N2O/c1-15(2)11-9-13-19(7)17(5)21-18(6)20(8)14-10-12-16(3)4/h15-18H,9-14H2,1-8H3
InChIKeyRWBIIIISGCCCFN-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.43
Rot. Bonds12

About N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine

N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine (PubChem CID 162353486) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine
PubChem CID162353486
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC NameN,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine
SMILESCC(C)CCCN(C)C(C)OC(C)N(C)CCCC(C)C
InChIInChI=1S/C18H40N2O/c1-15(2)11-9-13-19(7)17(5)21-18(6)20(8)14-10-12-16(3)4/h15-18H,9-14H2,1-8H3
InChIKeyRWBIIIISGCCCFN-UHFFFAOYSA-N
XLogP4.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

n-(Butoxymethyl)-2-ethyl-n-(2-ethylhexyl)hexan-1-amine
CID 222922
3-[1-(diethylamino)-4-methylpentan-3-yl]oxy-N,N-diethyl-4-methylpentan-1-amine
CID 88325195
5-[5-(diethylamino)-2-methylpentoxy]-N,N-diethyl-4-methylpentan-1-amine
CID 88331304
3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine
CID 141193438
N-methyl-5-(4-methylpentoxy)-N-(2-methylpropyl)pentan-1-amine
CID 141688434
4-Ethyl-9-(4-methylpentyl)-1-oxa-4,9-diazacycloundecane
CID 155752244
N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine
CID 162353474
N-butyl-N-[1-[1-[butyl(3-methylbutyl)amino]ethoxy]ethyl]-3-methylbutan-1-amine
CID 162353475
N-methyl-N-[1-[1-[methyl(pentyl)amino]ethoxy]ethyl]pentan-1-amine
CID 162353478
N-[1-[1-[hexyl(methyl)amino]ethoxy]ethyl]-N-methylhexan-1-amine
CID 162353484
N-(ethoxymethyl)-N,2-dimethylhexan-1-amine
CID 167205147
3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 170695380

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine?
The IUPAC name of N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine (CID 162353486) is N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine?
The canonical SMILES for N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine is CC(C)CCCN(C)C(C)OC(C)N(C)CCCC(C)C.
What is the InChIKey of N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine?
The InChIKey is RWBIIIISGCCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-15(2)11-9-13-19(7)17(5)21-18(6)20(8)14-10-12-16(3)4/h15-18H,9-14H2,1-8H3.
What are the key properties of N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine?
N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine has a molecular weight of 300.53 g/mol, XLogP of 4.43, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine is sourced from PubChem (CID 162353486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).