4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol

C11H24N2O — CID 79123963

IUPAC4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(CCN)CC1
InChIInChI=1S/C11H24N2O/c1-10(2)13-8-3-4-11(14,5-7-12)6-9-13/h10,14H,3-9,12H2,1-2H3
InChIKeyKAOHEQUZPKFPTN-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.96
Rot. Bonds3

About 4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol

4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol (PubChem CID 79123963) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol
PubChem CID79123963
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(CCN)CC1
InChIInChI=1S/C11H24N2O/c1-10(2)13-8-3-4-11(14,5-7-12)6-9-13/h10,14H,3-9,12H2,1-2H3
InChIKeyKAOHEQUZPKFPTN-UHFFFAOYSA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol?
The IUPAC name of 4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol (CID 79123963) is 4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol is CC(C)N1CCCC(O)(CCN)CC1.
What is the InChIKey of 4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol?
The InChIKey is KAOHEQUZPKFPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2)13-8-3-4-11(14,5-7-12)6-9-13/h10,14H,3-9,12H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol?
4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol has a molecular weight of 200.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 79123963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).