2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol

C13H28N2O — CID 65235226

IUPAC2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol
SMILESCCNC1(CCO)CCCN(C(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-4-14-13(8-11-16)6-5-9-15(10-7-13)12(2)3/h12,14,16H,4-11H2,1-3H3
InChIKeySTQWBFBKOABBMU-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds5

About 2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol

2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol (PubChem CID 65235226) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol
PubChem CID65235226
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol
SMILESCCNC1(CCO)CCCN(C(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-4-14-13(8-11-16)6-5-9-15(10-7-13)12(2)3/h12,14,16H,4-11H2,1-3H3
InChIKeySTQWBFBKOABBMU-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(ethylamino)cyclopentyl]ethanol
CID 64982680
2-[1-(ethylamino)cyclohexyl]ethanol
CID 64989011
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CID 65234410
[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol
CID 65077679
2-[1-(ethylamino)-4-methylcycloheptyl]ethanol
CID 65234993
2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid
CID 65236826
2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol
CID 83908354
[4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol
CID 61047764
N-ethyl-1-propylcyclohexan-1-amine
CID 581031
1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
CID 43754005
4-(3,3-dimethylbutyl)-1-propan-2-ylazepan-4-ol
CID 65154256
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol?
The IUPAC name of 2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol (CID 65235226) is 2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol.
What is the SMILES notation for 2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol?
The canonical SMILES for 2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol is CCNC1(CCO)CCCN(C(C)C)CC1.
What is the InChIKey of 2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol?
The InChIKey is STQWBFBKOABBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-14-13(8-11-16)6-5-9-15(10-7-13)12(2)3/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol?
2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol is sourced from PubChem (CID 65235226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).