azane;4-(2,3-dipropylphenyl)heptan-4-ol

C19H35NO — CID 172695621

IUPACazane;4-(2,3-dipropylphenyl)heptan-4-ol
SMILESCCCc1cccc(C(O)(CCC)CCC)c1CCC.N
InChIInChI=1S/C19H32O.H3N/c1-5-10-16-12-9-13-18(17(16)11-6-2)19(20,14-7-3)15-8-4;/h9,12-13,20H,5-8,10-11,14-15H2,1-4H3;1H3
InChIKeyCGYUFPQEFXAYRP-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.54
Rot. Bonds9

About azane;4-(2,3-dipropylphenyl)heptan-4-ol

azane;4-(2,3-dipropylphenyl)heptan-4-ol (PubChem CID 172695621) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is azane;4-(2,3-dipropylphenyl)heptan-4-ol.

Molecular Properties

Compound Nameazane;4-(2,3-dipropylphenyl)heptan-4-ol
PubChem CID172695621
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Nameazane;4-(2,3-dipropylphenyl)heptan-4-ol
SMILESCCCc1cccc(C(O)(CCC)CCC)c1CCC.N
InChIInChI=1S/C19H32O.H3N/c1-5-10-16-12-9-13-18(17(16)11-6-2)19(20,14-7-3)15-8-4;/h9,12-13,20H,5-8,10-11,14-15H2,1-4H3;1H3
InChIKeyCGYUFPQEFXAYRP-UHFFFAOYSA-N
XLogP5.54
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze azane;4-(2,3-dipropylphenyl)heptan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-naphthalen-1-ylheptan-4-ol
CID 114866255
1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 175493914
2-propyl-1,3-di(tricosyl)benzene
CID 90723374
[2-(hydroxymethyl)-3-propylphenyl]methanol
CID 118644202
1,3-dioctyl-2-propylbenzene
CID 90707443
1-dodecyl-2-pentyl-3-propylbenzene
CID 91255551
CID 160937062
CID 160937062
CID 160803924
CID 160803924
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
1,2-dibutyl-3-(5-phenylnonan-5-yl)benzene
CID 57305489
2-[4-(2-propylphenoxy)heptan-4-yl]phenol
CID 67178327
2-(2-butylphenyl)hexane-1,2-diol
CID 162716167

Frequently Asked Questions

What is the IUPAC name of azane;4-(2,3-dipropylphenyl)heptan-4-ol?
The IUPAC name of azane;4-(2,3-dipropylphenyl)heptan-4-ol (CID 172695621) is azane;4-(2,3-dipropylphenyl)heptan-4-ol.
What is the SMILES notation for azane;4-(2,3-dipropylphenyl)heptan-4-ol?
The canonical SMILES for azane;4-(2,3-dipropylphenyl)heptan-4-ol is CCCc1cccc(C(O)(CCC)CCC)c1CCC.N.
What is the InChIKey of azane;4-(2,3-dipropylphenyl)heptan-4-ol?
The InChIKey is CGYUFPQEFXAYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O.H3N/c1-5-10-16-12-9-13-18(17(16)11-6-2)19(20,14-7-3)15-8-4;/h9,12-13,20H,5-8,10-11,14-15H2,1-4H3;1H3.
What are the key properties of azane;4-(2,3-dipropylphenyl)heptan-4-ol?
azane;4-(2,3-dipropylphenyl)heptan-4-ol has a molecular weight of 293.50 g/mol, XLogP of 5.54, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-(2,3-dipropylphenyl)heptan-4-ol is sourced from PubChem (CID 172695621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).