ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile

C18H26N2O — CID 144967760

IUPACethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile
SMILESCC.CC.CC(CO)Nc1ccc2c(C#N)cccc2c1
InChIInChI=1S/C14H14N2O.2C2H6/c1-10(9-17)16-13-5-6-14-11(7-13)3-2-4-12(14)8-15;2*1-2/h2-7,10,16-17H,9H2,1H3;2*1-2H3
InChIKeyUGKSXBRCCDBSBQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.56
Rot. Bonds3

About ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile

ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile (PubChem CID 144967760) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile.

Molecular Properties

Compound Nameethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile
PubChem CID144967760
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Nameethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile
SMILESCC.CC.CC(CO)Nc1ccc2c(C#N)cccc2c1
InChIInChI=1S/C14H14N2O.2C2H6/c1-10(9-17)16-13-5-6-14-11(7-13)3-2-4-12(14)8-15;2*1-2/h2-7,10,16-17H,9H2,1H3;2*1-2H3
InChIKeyUGKSXBRCCDBSBQ-UHFFFAOYSA-N
XLogP4.56
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile 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

3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride
CID 77230473
naphthalene-1-carbonitrile;sulfane
CID 175607355
(5-cyanonaphthalen-2-yl)boronic acid
CID 133057282
2-(1-hydroxypropan-2-ylamino)-4-methylbenzonitrile
CID 55135953
2-(3,4-difluoroanilino)propan-1-ol
CID 130502592
2-(naphthalen-1-ylamino)propan-1-ol
CID 19963404
2-[3-(aminomethyl)anilino]propan-1-ol
CID 102813984
4-(5-hydroxypentan-2-ylamino)-2-methylbenzonitrile
CID 81279649
6-[[(2S)-1-hydroxybutan-2-yl]amino]isoquinoline-1-carbonitrile
CID 125482349
4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylbenzonitrile
CID 81279647
anthracene-1-carbonitrile
CID 3036603
2-(1-hydroxypropan-2-ylamino)-4-methoxybenzonitrile
CID 81305599

Frequently Asked Questions

What is the IUPAC name of ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile?
The IUPAC name of ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile (CID 144967760) is ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile.
What is the SMILES notation for ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile?
The canonical SMILES for ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile is CC.CC.CC(CO)Nc1ccc2c(C#N)cccc2c1.
What is the InChIKey of ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile?
The InChIKey is UGKSXBRCCDBSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.2C2H6/c1-10(9-17)16-13-5-6-14-11(7-13)3-2-4-12(14)8-15;2*1-2/h2-7,10,16-17H,9H2,1H3;2*1-2H3.
What are the key properties of ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile?
ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(1-hydroxypropan-2-ylamino)naphthalene-1-carbonitrile is sourced from PubChem (CID 144967760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).