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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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).