2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol

C16H34N2O — CID 106809648

IUPAC2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
SMILESCCC1CCCN(CCCC(CC)(CO)NC)CC1
InChIInChI=1S/C16H34N2O/c1-4-15-8-6-11-18(13-9-15)12-7-10-16(5-2,14-19)17-3/h15,17,19H,4-14H2,1-3H3
InChIKeyKEWLCXZITZCHRS-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds8

About 2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol

2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol (PubChem CID 106809648) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
PubChem CID106809648
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
SMILESCCC1CCCN(CCCC(CC)(CO)NC)CC1
InChIInChI=1S/C16H34N2O/c1-4-15-8-6-11-18(13-9-15)12-7-10-16(5-2,14-19)17-3/h15,17,19H,4-14H2,1-3H3
InChIKeyKEWLCXZITZCHRS-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-ethyl-2-(methylamino)-5-pyrrolidin-1-ylpentan-1-ol
CID 106809047
2-ethyl-5-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)pentan-1-ol
CID 106809961
2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol
CID 106809681
2-ethyl-5-(3-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809284
2-ethyl-5-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809851
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide
CID 65259797
5-(4,4-diethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106808882
2-(cyclopropylamino)-2-ethyl-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 106808663
2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol
CID 106808728
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
CID 65254850
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
2-ethyl-5-(2-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809858

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol (CID 106809648) is 2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol is CCC1CCCN(CCCC(CC)(CO)NC)CC1.
What is the InChIKey of 2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol?
The InChIKey is KEWLCXZITZCHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-15-8-6-11-18(13-9-15)12-7-10-16(5-2,14-19)17-3/h15,17,19H,4-14H2,1-3H3.
What are the key properties of 2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol?
2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 106809648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).