4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol

C13H28N2O — CID 79124628

IUPAC4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(C(C)(C)CN)CC1
InChIInChI=1S/C13H28N2O/c1-4-8-15-9-5-6-13(16,7-10-15)12(2,3)11-14/h16H,4-11,14H2,1-3H3
InChIKeyJCJWWRGINAHTME-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.60
Rot. Bonds4

About 4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol

4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol (PubChem CID 79124628) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol
PubChem CID79124628
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(C(C)(C)CN)CC1
InChIInChI=1S/C13H28N2O/c1-4-8-15-9-5-6-13(16,7-10-15)12(2,3)11-14/h16H,4-11,14H2,1-3H3
InChIKeyJCJWWRGINAHTME-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-amino-2-methylpropan-2-yl)-1-methylpiperidin-4-ol
CID 79135289
1-propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol
CID 79125941
4-[1-(aminomethyl)cycloheptyl]-1-propylpiperidin-4-ol
CID 79135291
4-ethyl-1-propylpiperidin-4-ol
CID 60895499
4-[1-(aminomethyl)-4-methylcyclohexyl]-1-propylazepan-4-ol
CID 79125588
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655
4-(1-amino-2-methylpropan-2-yl)piperidin-4-ol
CID 79136037
4-but-3-ynyl-1-propylazepan-4-ol
CID 65077810
methanol;1-propylpiperidine
CID 171515121
3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol
CID 131048262
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol
CID 79124838

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol?
The IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol (CID 79124628) is 4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol.
What is the SMILES notation for 4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol?
The canonical SMILES for 4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol is CCCN1CCCC(O)(C(C)(C)CN)CC1.
What is the InChIKey of 4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol?
The InChIKey is JCJWWRGINAHTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-8-15-9-5-6-13(16,7-10-15)12(2,3)11-14/h16H,4-11,14H2,1-3H3.
What are the key properties of 4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol?
4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol has a molecular weight of 228.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol is sourced from PubChem (CID 79124628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).