1-amino-4-butyloctan-2-ol

C12H27NO — CID 57288695

IUPAC1-amino-4-butyloctan-2-ol
SMILESCCCCC(CCCC)CC(O)CN
InChIInChI=1S/C12H27NO/c1-3-5-7-11(8-6-4-2)9-12(14)10-13/h11-12,14H,3-10,13H2,1-2H3
InChIKeySNYWSFHNXSWBFV-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.69
Rot. Bonds9

About 1-amino-4-butyloctan-2-ol

1-amino-4-butyloctan-2-ol (PubChem CID 57288695) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-amino-4-butyloctan-2-ol.

Molecular Properties

Compound Name1-amino-4-butyloctan-2-ol
PubChem CID57288695
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-amino-4-butyloctan-2-ol
SMILESCCCCC(CCCC)CC(O)CN
InChIInChI=1S/C12H27NO/c1-3-5-7-11(8-6-4-2)9-12(14)10-13/h11-12,14H,3-10,13H2,1-2H3
InChIKeySNYWSFHNXSWBFV-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-[4-[(3-amino-2-hydroxypropyl)-tetradecylamino]butyl]octadecan-2-ol
CID 148647551
2-butylhexan-1-amine
CID 54041151
9-hexylheptadecan-7-ol
CID 19871685
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840
2-butylpropane-1,3-diamine;ethane
CID 142824010
1-amino-4-[2-[1-[4-[1-[3-(3-amino-2-hydroxypropyl)hexadecylamino]propyl]piperazin-1-yl]propylamino]ethyl]heptadecan-2-ol
CID 66777599
(2R)-1-aminooctan-2-ol
CID 13476237
1-aminohenicosan-2-ol
CID 88605177
(2S)-2-ethylhexan-1-amine
CID 6999997
5,7-dibutylundecane;nonane
CID 159714693
(5R,7S)-undecane-5,7-diol
CID 10899409
2-ethylhexan-1-amine;dihydrochloride
CID 142641821

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-butyloctan-2-ol?
The IUPAC name of 1-amino-4-butyloctan-2-ol (CID 57288695) is 1-amino-4-butyloctan-2-ol.
What is the SMILES notation for 1-amino-4-butyloctan-2-ol?
The canonical SMILES for 1-amino-4-butyloctan-2-ol is CCCCC(CCCC)CC(O)CN.
What is the InChIKey of 1-amino-4-butyloctan-2-ol?
The InChIKey is SNYWSFHNXSWBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-3-5-7-11(8-6-4-2)9-12(14)10-13/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 1-amino-4-butyloctan-2-ol?
1-amino-4-butyloctan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-butyloctan-2-ol is sourced from PubChem (CID 57288695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).