[4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol

C15H33N3O — CID 65076740

IUPAC[4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol
SMILESCCN(CC)CCNC1(CO)CCCN(CC)CC1
InChIInChI=1S/C15H33N3O/c1-4-17(5-2)13-10-16-15(14-19)8-7-11-18(6-3)12-9-15/h16,19H,4-14H2,1-3H3
InChIKeyKWYIUIIVLRXMTO-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.15
Rot. Bonds8

About [4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol

[4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol (PubChem CID 65076740) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol
PubChem CID65076740
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name[4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol
SMILESCCN(CC)CCNC1(CO)CCCN(CC)CC1
InChIInChI=1S/C15H33N3O/c1-4-17(5-2)13-10-16-15(14-19)8-7-11-18(6-3)12-9-15/h16,19H,4-14H2,1-3H3
InChIKeyKWYIUIIVLRXMTO-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol
CID 65080769
[1-[2-(diethylamino)ethylamino]-3-methylcyclobutyl]methanol
CID 103564776
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 65383770
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
[1-[2-(diethylamino)ethylamino]-2,2-dimethylcyclopentyl]methanol
CID 79863280
[3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol
CID 79946833
4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide
CID 65074848
[1-[3-(dimethylamino)propylamino]cyclobutyl]methanol
CID 114525313
N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65383357
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65384408
[1-(butylamino)cyclohexyl]methanol
CID 62520970
1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide
CID 61005401

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol?
The IUPAC name of [4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol (CID 65076740) is [4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol.
What is the SMILES notation for [4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol?
The canonical SMILES for [4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol is CCN(CC)CCNC1(CO)CCCN(CC)CC1.
What is the InChIKey of [4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol?
The InChIKey is KWYIUIIVLRXMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-4-17(5-2)13-10-16-15(14-19)8-7-11-18(6-3)12-9-15/h16,19H,4-14H2,1-3H3.
What are the key properties of [4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol?
[4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol has a molecular weight of 271.45 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol is sourced from PubChem (CID 65076740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).