2-(azepan-4-ylamino)-1-cyclopropylethanol

C11H22N2O — CID 103982114

IUPAC2-(azepan-4-ylamino)-1-cyclopropylethanol
SMILESOC(CNC1CCCNCC1)C1CC1
InChIInChI=1S/C11H22N2O/c14-11(9-3-4-9)8-13-10-2-1-6-12-7-5-10/h9-14H,1-8H2
InChIKeyYHDJJOHBSCCWSQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.49
Rot. Bonds4

About 2-(azepan-4-ylamino)-1-cyclopropylethanol

2-(azepan-4-ylamino)-1-cyclopropylethanol (PubChem CID 103982114) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(azepan-4-ylamino)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(azepan-4-ylamino)-1-cyclopropylethanol
PubChem CID103982114
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(azepan-4-ylamino)-1-cyclopropylethanol
SMILESOC(CNC1CCCNCC1)C1CC1
InChIInChI=1S/C11H22N2O/c14-11(9-3-4-9)8-13-10-2-1-6-12-7-5-10/h9-14H,1-8H2
InChIKeyYHDJJOHBSCCWSQ-UHFFFAOYSA-N
XLogP0.49
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-4-ylamino)-1-cyclopropylethanol?
The IUPAC name of 2-(azepan-4-ylamino)-1-cyclopropylethanol (CID 103982114) is 2-(azepan-4-ylamino)-1-cyclopropylethanol.
What is the SMILES notation for 2-(azepan-4-ylamino)-1-cyclopropylethanol?
The canonical SMILES for 2-(azepan-4-ylamino)-1-cyclopropylethanol is OC(CNC1CCCNCC1)C1CC1.
What is the InChIKey of 2-(azepan-4-ylamino)-1-cyclopropylethanol?
The InChIKey is YHDJJOHBSCCWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c14-11(9-3-4-9)8-13-10-2-1-6-12-7-5-10/h9-14H,1-8H2.
What are the key properties of 2-(azepan-4-ylamino)-1-cyclopropylethanol?
2-(azepan-4-ylamino)-1-cyclopropylethanol has a molecular weight of 198.31 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-4-ylamino)-1-cyclopropylethanol is sourced from PubChem (CID 103982114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).