N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine

C16H35NO — CID 144520810

IUPACN-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine
SMILESCCN(CC(OC(C)(CC)CC)C(C)C)C(C)C
InChIInChI=1S/C16H35NO/c1-9-16(8,10-2)18-15(13(4)5)12-17(11-3)14(6)7/h13-15H,9-12H2,1-8H3
InChIKeyDFPCXHZHRQMWDP-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.34
Rot. Bonds9

About N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine

N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine (PubChem CID 144520810) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine
PubChem CID144520810
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine
SMILESCCN(CC(OC(C)(CC)CC)C(C)C)C(C)C
InChIInChI=1S/C16H35NO/c1-9-16(8,10-2)18-15(13(4)5)12-17(11-3)14(6)7/h13-15H,9-12H2,1-8H3
InChIKeyDFPCXHZHRQMWDP-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

O-[1-[ethyl(propan-2-yl)amino]propan-2-yl]hydroxylamine
CID 177367192
N-ethyl-N-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 176694566
N-ethyl-2-methyl-N-propan-2-ylhexan-1-amine
CID 89088751
1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine
CID 62477993
2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol
CID 62270220
2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid
CID 63066872
1-(3-methylpentan-3-yloxy)ethylcyclopropane
CID 91010991
N,N-diethyl-1-iodo-2,2-dimethylpropan-1-amine
CID 170088626
1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol
CID 103191453
N-tert-butyl-3-methyl-2-(2-methylbutan-2-yloxy)butan-1-amine
CID 62457766
2-(bromomethyl)-N-butan-2-yl-N-ethyl-3,3-dimethylbutan-1-amine
CID 65015773
3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
CID 19875132

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine (CID 144520810) is N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine is CCN(CC(OC(C)(CC)CC)C(C)C)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is DFPCXHZHRQMWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-9-16(8,10-2)18-15(13(4)5)12-17(11-3)14(6)7/h13-15H,9-12H2,1-8H3.
What are the key properties of N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine?
N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-(3-methylpentan-3-yloxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 144520810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).