4-amino-1-(benzylamino)butan-2-ol

C11H18N2O — CID 112511959

IUPAC4-amino-1-(benzylamino)butan-2-ol
SMILESNCCC(O)CNCc1ccccc1
InChIInChI=1S/C11H18N2O/c12-7-6-11(14)9-13-8-10-4-2-1-3-5-10/h1-5,11,13-14H,6-9,12H2
InChIKeyJIGVQVMYORVCDO-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.49
Rot. Bonds6

About 4-amino-1-(benzylamino)butan-2-ol

4-amino-1-(benzylamino)butan-2-ol (PubChem CID 112511959) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-amino-1-(benzylamino)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(benzylamino)butan-2-ol
PubChem CID112511959
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-amino-1-(benzylamino)butan-2-ol
SMILESNCCC(O)CNCc1ccccc1
InChIInChI=1S/C11H18N2O/c12-7-6-11(14)9-13-8-10-4-2-1-3-5-10/h1-5,11,13-14H,6-9,12H2
InChIKeyJIGVQVMYORVCDO-UHFFFAOYSA-N
XLogP0.49
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine
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(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
N-[3-(benzylamino)-2-hydroxypropyl]sulfamate
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(benzylamino)butan-2-ol?
The IUPAC name of 4-amino-1-(benzylamino)butan-2-ol (CID 112511959) is 4-amino-1-(benzylamino)butan-2-ol.
What is the SMILES notation for 4-amino-1-(benzylamino)butan-2-ol?
The canonical SMILES for 4-amino-1-(benzylamino)butan-2-ol is NCCC(O)CNCc1ccccc1.
What is the InChIKey of 4-amino-1-(benzylamino)butan-2-ol?
The InChIKey is JIGVQVMYORVCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-7-6-11(14)9-13-8-10-4-2-1-3-5-10/h1-5,11,13-14H,6-9,12H2.
What are the key properties of 4-amino-1-(benzylamino)butan-2-ol?
4-amino-1-(benzylamino)butan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(benzylamino)butan-2-ol is sourced from PubChem (CID 112511959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).