4-(1-aminopropan-2-yl)-1-methylazepan-4-ol

C10H22N2O — CID 79124834

IUPAC4-(1-aminopropan-2-yl)-1-methylazepan-4-ol
SMILESCC(CN)C1(O)CCCN(C)CC1
InChIInChI=1S/C10H22N2O/c1-9(8-11)10(13)4-3-6-12(2)7-5-10/h9,13H,3-8,11H2,1-2H3
InChIKeyTZUIEEWRILLSHL-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.43
Rot. Bonds2

About 4-(1-aminopropan-2-yl)-1-methylazepan-4-ol

4-(1-aminopropan-2-yl)-1-methylazepan-4-ol (PubChem CID 79124834) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-1-methylazepan-4-ol
PubChem CID79124834
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-(1-aminopropan-2-yl)-1-methylazepan-4-ol
SMILESCC(CN)C1(O)CCCN(C)CC1
InChIInChI=1S/C10H22N2O/c1-9(8-11)10(13)4-3-6-12(2)7-5-10/h9,13H,3-8,11H2,1-2H3
InChIKeyTZUIEEWRILLSHL-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-1-methylazepan-4-ol?
The IUPAC name of 4-(1-aminopropan-2-yl)-1-methylazepan-4-ol (CID 79124834) is 4-(1-aminopropan-2-yl)-1-methylazepan-4-ol.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-1-methylazepan-4-ol?
The canonical SMILES for 4-(1-aminopropan-2-yl)-1-methylazepan-4-ol is CC(CN)C1(O)CCCN(C)CC1.
What is the InChIKey of 4-(1-aminopropan-2-yl)-1-methylazepan-4-ol?
The InChIKey is TZUIEEWRILLSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(8-11)10(13)4-3-6-12(2)7-5-10/h9,13H,3-8,11H2,1-2H3.
What are the key properties of 4-(1-aminopropan-2-yl)-1-methylazepan-4-ol?
4-(1-aminopropan-2-yl)-1-methylazepan-4-ol has a molecular weight of 186.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-1-methylazepan-4-ol is sourced from PubChem (CID 79124834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).