1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol

C20H28N2O — CID 23467801

IUPAC1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol
SMILESNCC(O)CNC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H28N2O/c21-15-20(23)16-22-19(13-11-17-7-3-1-4-8-17)14-12-18-9-5-2-6-10-18/h1-10,19-20,22-23H,11-16,21H2
InChIKeyNKCRYQDWMGHHTL-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.53
Rot. Bonds10

About 1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol

1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol (PubChem CID 23467801) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol
PubChem CID23467801
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol
SMILESNCC(O)CNC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H28N2O/c21-15-20(23)16-22-19(13-11-17-7-3-1-4-8-17)14-12-18-9-5-2-6-10-18/h1-10,19-20,22-23H,11-16,21H2
InChIKeyNKCRYQDWMGHHTL-UHFFFAOYSA-N
XLogP2.53
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine
CID 83013680
2-amino-N-(1,5-diphenylpentan-3-yl)acetamide
CID 119340752
1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol
CID 159072005
(2S)-1-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-4-N-(1,5-diphenylpentan-3-yl)butane-1,2,4-triamine;(2S)-1-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine;(2S)-5-N-(1,5-diphenylpentan-3-yl)pentane-1,2,5-triamine
CID 160786685
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine
CID 65377491
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol?
The IUPAC name of 1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol (CID 23467801) is 1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol is NCC(O)CNC(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of 1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol?
The InChIKey is NKCRYQDWMGHHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c21-15-20(23)16-22-19(13-11-17-7-3-1-4-8-17)14-12-18-9-5-2-6-10-18/h1-10,19-20,22-23H,11-16,21H2.
What are the key properties of 1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol?
1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol has a molecular weight of 312.46 g/mol, XLogP of 2.53, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 23467801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).