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

C13H28N2O — CID 64821373

IUPAC1-amino-4-(4-propylazepan-1-yl)butan-2-ol
SMILESCCCC1CCCN(CCC(O)CN)CC1
InChIInChI=1S/C13H28N2O/c1-2-4-12-5-3-8-15(9-6-12)10-7-13(16)11-14/h12-13,16H,2-11,14H2,1H3
InChIKeyOLURXFFJLZUERL-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.60
Rot. Bonds6

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

1-amino-4-(4-propylazepan-1-yl)butan-2-ol (PubChem CID 64821373) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-amino-4-(4-propylazepan-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-propylazepan-1-yl)butan-2-ol
PubChem CID64821373
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-amino-4-(4-propylazepan-1-yl)butan-2-ol
SMILESCCCC1CCCN(CCC(O)CN)CC1
InChIInChI=1S/C13H28N2O/c1-2-4-12-5-3-8-15(9-6-12)10-7-13(16)11-14/h12-13,16H,2-11,14H2,1H3
InChIKeyOLURXFFJLZUERL-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

1-amino-4-(4-ethylpiperidin-1-yl)butan-2-ol
CID 64818908
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
1-amino-4-(4-propylpiperazin-1-yl)butan-2-ol
CID 64820693
1-amino-4-[4-(dimethylamino)piperidin-1-yl]butan-2-ol
CID 64821111
2-methyl-5-(4-propylpiperidin-1-yl)pentan-1-amine
CID 82016996
3-hydroxy-4-(4-propylazepan-1-yl)butanoic acid
CID 82771064
1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
CID 62077210
1-[2-(4-propylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79327456
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol
CID 64821605
1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol
CID 83481488
2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid
CID 106806311

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-propylazepan-1-yl)butan-2-ol?
The IUPAC name of 1-amino-4-(4-propylazepan-1-yl)butan-2-ol (CID 64821373) is 1-amino-4-(4-propylazepan-1-yl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(4-propylazepan-1-yl)butan-2-ol?
The canonical SMILES for 1-amino-4-(4-propylazepan-1-yl)butan-2-ol is CCCC1CCCN(CCC(O)CN)CC1.
What is the InChIKey of 1-amino-4-(4-propylazepan-1-yl)butan-2-ol?
The InChIKey is OLURXFFJLZUERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-2-4-12-5-3-8-15(9-6-12)10-7-13(16)11-14/h12-13,16H,2-11,14H2,1H3.
What are the key properties of 1-amino-4-(4-propylazepan-1-yl)butan-2-ol?
1-amino-4-(4-propylazepan-1-yl)butan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-propylazepan-1-yl)butan-2-ol is sourced from PubChem (CID 64821373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).