4-(benzylamino)hexan-3-ol

C13H21NO — CID 123502120

IUPAC4-(benzylamino)hexan-3-ol
SMILESCCC(O)C(CC)NCc1ccccc1
InChIInChI=1S/C13H21NO/c1-3-12(13(15)4-2)14-10-11-8-6-5-7-9-11/h5-9,12-15H,3-4,10H2,1-2H3
InChIKeyJAJPBSZAYVOMIM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.33
Rot. Bonds6

About 4-(benzylamino)hexan-3-ol

4-(benzylamino)hexan-3-ol (PubChem CID 123502120) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(benzylamino)hexan-3-ol.

Molecular Properties

Compound Name4-(benzylamino)hexan-3-ol
PubChem CID123502120
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(benzylamino)hexan-3-ol
SMILESCCC(O)C(CC)NCc1ccccc1
InChIInChI=1S/C13H21NO/c1-3-12(13(15)4-2)14-10-11-8-6-5-7-9-11/h5-9,12-15H,3-4,10H2,1-2H3
InChIKeyJAJPBSZAYVOMIM-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(benzylamino)-1-hydroxypentan-3-yl]ethanethioamide
CID 134179680
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol
CID 166262814
(2S,3R)-3-(benzylamino)butane-1,2-diol
CID 130641208
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one
CID 18716186
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(benzylamino)-methoxymethanol
CID 154551883
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
benzyl (2S)-2-(benzylamino)butanoate
CID 59758756
4-(ethylamino)hexan-3-ol
CID 130632244
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)hexan-3-ol?
The IUPAC name of 4-(benzylamino)hexan-3-ol (CID 123502120) is 4-(benzylamino)hexan-3-ol.
What is the SMILES notation for 4-(benzylamino)hexan-3-ol?
The canonical SMILES for 4-(benzylamino)hexan-3-ol is CCC(O)C(CC)NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)hexan-3-ol?
The InChIKey is JAJPBSZAYVOMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-12(13(15)4-2)14-10-11-8-6-5-7-9-11/h5-9,12-15H,3-4,10H2,1-2H3.
What are the key properties of 4-(benzylamino)hexan-3-ol?
4-(benzylamino)hexan-3-ol has a molecular weight of 207.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)hexan-3-ol is sourced from PubChem (CID 123502120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).