2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol

C16H34N2O — CID 64809388

IUPAC2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)N1CCCC(CC)CC1
InChIInChI=1S/C16H34N2O/c1-5-15-8-7-10-18(11-9-15)14(3)12-16(4,13-19)17-6-2/h14-15,17,19H,5-13H2,1-4H3
InChIKeyRLSXYBAWFHAFNS-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds7

About 2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol

2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol (PubChem CID 64809388) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol
PubChem CID64809388
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)N1CCCC(CC)CC1
InChIInChI=1S/C16H34N2O/c1-5-15-8-7-10-18(11-9-15)14(3)12-16(4,13-19)17-6-2/h14-15,17,19H,5-13H2,1-4H3
InChIKeyRLSXYBAWFHAFNS-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol
CID 64789711
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentan-1-ol
CID 64789181
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 64790816
2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile
CID 64728298
2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
CID 64790693
2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentan-1-ol
CID 64825627
2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol
CID 113419338
4-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 114158146
4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64809592
2-(ethylamino)-4-(3-ethylmorpholin-4-yl)-2-methylpentan-1-ol
CID 64798768
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64827462
2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
CID 64704032

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol?
The IUPAC name of 2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol (CID 64809388) is 2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol is CCNC(C)(CO)CC(C)N1CCCC(CC)CC1.
What is the InChIKey of 2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol?
The InChIKey is RLSXYBAWFHAFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-15-8-7-10-18(11-9-15)14(3)12-16(4,13-19)17-6-2/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol?
2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 64809388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).