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

C10H22N2O — CID 107403974

IUPAC1-(1-aminopropan-2-yl)-4-methylazepan-4-ol
SMILESCC(CN)N1CCCC(C)(O)CC1
InChIInChI=1S/C10H22N2O/c1-9(8-11)12-6-3-4-10(2,13)5-7-12/h9,13H,3-8,11H2,1-2H3
InChIKeyQAOOYXOXNFQTAO-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.57
Rot. Bonds2

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

1-(1-aminopropan-2-yl)-4-methylazepan-4-ol (PubChem CID 107403974) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-4-methylazepan-4-ol
PubChem CID107403974
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(1-aminopropan-2-yl)-4-methylazepan-4-ol
SMILESCC(CN)N1CCCC(C)(O)CC1
InChIInChI=1S/C10H22N2O/c1-9(8-11)12-6-3-4-10(2,13)5-7-12/h9,13H,3-8,11H2,1-2H3
InChIKeyQAOOYXOXNFQTAO-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Amino-1,1,1-trifluoropentan-2-yl)-4-methylazepan-4-ol
CID 107403799
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol
CID 107403813
1-(3-Amino-1,1,1-trifluorobutan-2-yl)-4-methylazepan-4-ol
CID 107403939
1-(4-Amino-1,1,1-trifluorobutan-2-yl)-4-methylazepan-4-ol
CID 107403982
1-(4-Aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol
CID 112737663
1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol
CID 112737664
1-[2-(Propylamino)ethyl]-4-(trifluoromethyl)azepan-4-ol
CID 112737761
4-(Aminomethyl)-1-methylazepan-4-ol
CID 65074910
4-(Aminomethyl)-1-ethylazepan-4-ol
CID 65077341
4-(Aminomethyl)-1-propan-2-ylazepan-4-ol
CID 65077343
4-Methyl-1-propan-2-ylazepan-4-ol
CID 65077624
4-Ethyl-1-propan-2-ylazepan-4-ol
CID 65077625

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(1-aminopropan-2-yl)-4-methylazepan-4-ol (CID 107403974) is 1-(1-aminopropan-2-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(1-aminopropan-2-yl)-4-methylazepan-4-ol is CC(CN)N1CCCC(C)(O)CC1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-4-methylazepan-4-ol?
The InChIKey is QAOOYXOXNFQTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(8-11)12-6-3-4-10(2,13)5-7-12/h9,13H,3-8,11H2,1-2H3.
What are the key properties of 1-(1-aminopropan-2-yl)-4-methylazepan-4-ol?
1-(1-aminopropan-2-yl)-4-methylazepan-4-ol has a molecular weight of 186.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107403974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).