3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol

C18H30N2O — CID 22155909

IUPAC3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol
SMILESNCCCNCCC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H30N2O/c19-13-7-14-20-15-12-18(21,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,8-9,17,20-21H,2,5-7,10-15,19H2
InChIKeyLPZLHIPWXAGFFL-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.78
Rot. Bonds8

About 3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol

3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol (PubChem CID 22155909) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol
PubChem CID22155909
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol
SMILESNCCCNCCC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H30N2O/c19-13-7-14-20-15-12-18(21,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,8-9,17,20-21H,2,5-7,10-15,19H2
InChIKeyLPZLHIPWXAGFFL-UHFFFAOYSA-N
XLogP2.78
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
CID 22155872
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 22514
1-cyclohexyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 129318825
(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
CID 139079570
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
2-amino-1-cyclopropyl-1-phenylethanol
CID 71683828
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-diethyl-(1,1,2,2,2-pentadeuterioethyl)azanium
CID 169447341
1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol
CID 177368261

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol?
The IUPAC name of 3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol (CID 22155909) is 3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol is NCCCNCCC(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol?
The InChIKey is LPZLHIPWXAGFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c19-13-7-14-20-15-12-18(21,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,8-9,17,20-21H,2,5-7,10-15,19H2.
What are the key properties of 3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol?
3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol is sourced from PubChem (CID 22155909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).