3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol

C16H25NO2 — CID 70404616

IUPAC3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol
SMILESCCCCC(CC)NC1COc2cccc(O)c2C1
InChIInChI=1S/C16H25NO2/c1-3-5-7-12(4-2)17-13-10-14-15(18)8-6-9-16(14)19-11-13/h6,8-9,12-13,17-18H,3-5,7,10-11H2,1-2H3
InChIKeyWWZOWMBXPNXMIF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.25
Rot. Bonds6

About 3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol

3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol (PubChem CID 70404616) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol
PubChem CID70404616
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol
SMILESCCCCC(CC)NC1COc2cccc(O)c2C1
InChIInChI=1S/C16H25NO2/c1-3-5-7-12(4-2)17-13-10-14-15(18)8-6-9-16(14)19-11-13/h6,8-9,12-13,17-18H,3-5,7,10-11H2,1-2H3
InChIKeyWWZOWMBXPNXMIF-UHFFFAOYSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-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

3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-ol
CID 85239018
3-(tert-butylamino)-3,4-dihydro-2H-chromen-5-ol
CID 105477797
N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 69439070
2,2,2-trifluoro-N-[(3R)-5-hydroxy-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 10682811
(3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 22875033
3-amino-3,4-dihydro-2H-chromen-5-ol
CID 22366572
N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80697516
(6S)-6-[1-(oxolan-3-yl)butan-2-ylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 70189932
N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine
CID 64734397
6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 19926577
N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide
CID 76585450
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine
CID 79226351

Frequently Asked Questions

What is the IUPAC name of 3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of 3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol (CID 70404616) is 3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for 3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for 3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol is CCCCC(CC)NC1COc2cccc(O)c2C1.
What is the InChIKey of 3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is WWZOWMBXPNXMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-5-7-12(4-2)17-13-10-14-15(18)8-6-9-16(14)19-11-13/h6,8-9,12-13,17-18H,3-5,7,10-11H2,1-2H3.
What are the key properties of 3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol?
3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 263.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptan-3-ylamino)-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 70404616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).