4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine

C17H38N2O — CID 142989908

IUPAC4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine
SMILESCC(C)NC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C17H38N2O/c1-13(2)19-15(5,6)12-17(9,10)20-16(7,8)11-14(3,4)18/h13,19H,11-12,18H2,1-10H3
InChIKeyGCUPTWPJNBJBSZ-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.85
Rot. Bonds8

About 4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine

4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine (PubChem CID 142989908) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine
PubChem CID142989908
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine
SMILESCC(C)NC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C17H38N2O/c1-13(2)19-15(5,6)12-17(9,10)20-16(7,8)11-14(3,4)18/h13,19H,11-12,18H2,1-10H3
InChIKeyGCUPTWPJNBJBSZ-UHFFFAOYSA-N
XLogP3.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine
CID 18338938
4-(3-amino-2,3-dimethylbutoxy)-N,4-dimethylpentan-2-amine
CID 123388278
4-[2,3-dimethyl-3-(propan-2-ylamino)butoxy]-4-methyl-N-propan-2-ylpentan-2-amine
CID 123569329
2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine
CID 134415363
2-Methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine
CID 134415787
2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine
CID 134502931
4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine
CID 135299905
N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine
CID 137434900
2-Methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine
CID 138549251
N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine
CID 138713270
4-[4-(Ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine
CID 142573796
4-[4-(2,4-Dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine
CID 142989909

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine?
The IUPAC name of 4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine (CID 142989908) is 4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine?
The canonical SMILES for 4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine is CC(C)NC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)N.
What is the InChIKey of 4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine?
The InChIKey is GCUPTWPJNBJBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-13(2)19-15(5,6)12-17(9,10)20-16(7,8)11-14(3,4)18/h13,19H,11-12,18H2,1-10H3.
What are the key properties of 4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine?
4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine has a molecular weight of 286.50 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 142989908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).