[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol

C13H28N2O2 — CID 65080769

IUPAC[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol
SMILESCCN(CC)CCNC1(CO)CCCOCC1
InChIInChI=1S/C13H28N2O2/c1-3-15(4-2)9-8-14-13(12-16)6-5-10-17-11-7-13/h14,16H,3-12H2,1-2H3
InChIKeyRSYOOMKECQYHJQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds7

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

[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol (PubChem CID 65080769) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol
PubChem CID65080769
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol
SMILESCCN(CC)CCNC1(CO)CCCOCC1
InChIInChI=1S/C13H28N2O2/c1-3-15(4-2)9-8-14-13(12-16)6-5-10-17-11-7-13/h14,16H,3-12H2,1-2H3
InChIKeyRSYOOMKECQYHJQ-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(diethylamino)ethylamino]-1-ethylazepan-4-yl]methanol
CID 65076740
[1-[2-(diethylamino)ethylamino]-3-methylcyclobutyl]methanol
CID 103564776
4-[2-(diethylamino)ethylamino]oxane-4-carboxamide
CID 61004988
[4-(3-aminopropylamino)oxan-4-yl]methanol
CID 106297046
[1-[2-(diethylamino)ethylamino]-2,2-dimethylcyclopentyl]methanol
CID 79863280
[3-[2-(diethylamino)ethylamino]-5,5-dimethylthian-3-yl]methanol
CID 79946833
2-[4-(ethylamino)oxepan-4-yl]acetic acid
CID 65234090
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
[1-[3-(dimethylamino)propylamino]cyclobutyl]methanol
CID 114525313
N-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65383357
[4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol
CID 103713940
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65384408

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol?
The IUPAC name of [4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol (CID 65080769) is [4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol.
What is the SMILES notation for [4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol?
The canonical SMILES for [4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol is CCN(CC)CCNC1(CO)CCCOCC1.
What is the InChIKey of [4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol?
The InChIKey is RSYOOMKECQYHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-15(4-2)9-8-14-13(12-16)6-5-10-17-11-7-13/h14,16H,3-12H2,1-2H3.
What are the key properties of [4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol?
[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol is sourced from PubChem (CID 65080769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).