1-(benzylamino)decan-2-ol

C17H29NO — CID 42614665

IUPAC1-(benzylamino)decan-2-ol
SMILESCCCCCCCCC(O)CNCc1ccccc1
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-10-13-17(19)15-18-14-16-11-8-7-9-12-16/h7-9,11-12,17-19H,2-6,10,13-15H2,1H3
InChIKeyBGWPUOCZIFOJEV-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.89
Rot. Bonds11

About 1-(benzylamino)decan-2-ol

1-(benzylamino)decan-2-ol (PubChem CID 42614665) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(benzylamino)decan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)decan-2-ol
PubChem CID42614665
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(benzylamino)decan-2-ol
SMILESCCCCCCCCC(O)CNCc1ccccc1
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-10-13-17(19)15-18-14-16-11-8-7-9-12-16/h7-9,11-12,17-19H,2-6,10,13-15H2,1H3
InChIKeyBGWPUOCZIFOJEV-UHFFFAOYSA-N
XLogP3.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(benzylamino)octan-2-ol
CID 71341698
(2S)-1-(benzylamino)dodecan-2-ol
CID 98082078
N-benzyl-2-methylicosan-1-amine
CID 67811057
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
4-amino-1-(benzylamino)butan-2-ol
CID 112511959
1-anilinoheptan-2-ol
CID 114998464
1-(ethylamino)octan-2-ol
CID 62774096
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
(Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol
CID 11326024

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)decan-2-ol?
The IUPAC name of 1-(benzylamino)decan-2-ol (CID 42614665) is 1-(benzylamino)decan-2-ol.
What is the SMILES notation for 1-(benzylamino)decan-2-ol?
The canonical SMILES for 1-(benzylamino)decan-2-ol is CCCCCCCCC(O)CNCc1ccccc1.
What is the InChIKey of 1-(benzylamino)decan-2-ol?
The InChIKey is BGWPUOCZIFOJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-3-4-5-6-10-13-17(19)15-18-14-16-11-8-7-9-12-16/h7-9,11-12,17-19H,2-6,10,13-15H2,1H3.
What are the key properties of 1-(benzylamino)decan-2-ol?
1-(benzylamino)decan-2-ol has a molecular weight of 263.42 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)decan-2-ol is sourced from PubChem (CID 42614665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).