1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol

C16H25NO — CID 113262793

IUPAC1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol
SMILESCCC(O)CCNC1CCCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-2-14(18)11-12-17-16-10-6-4-8-13-7-3-5-9-15(13)16/h3,5,7,9,14,16-18H,2,4,6,8,10-12H2,1H3
InChIKeyPVLXEDUTOVVDAI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.20
Rot. Bonds5

About 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol

1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol (PubChem CID 113262793) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol.

Molecular Properties

Compound Name1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol
PubChem CID113262793
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol
SMILESCCC(O)CCNC1CCCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-2-14(18)11-12-17-16-10-6-4-8-13-7-3-5-9-15(13)16/h3,5,7,9,14,16-18H,2,4,6,8,10-12H2,1H3
InChIKeyPVLXEDUTOVVDAI-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol with MolForge

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Related Compounds

1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103905995
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43095798
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
N-(3-methylsulfanylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63981040
1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60710571
ethyl 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butanoate
CID 64577940
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
N-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63455441
N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115889370
2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
CID 153344227

Frequently Asked Questions

What is the IUPAC name of 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol?
The IUPAC name of 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol (CID 113262793) is 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol.
What is the SMILES notation for 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol?
The canonical SMILES for 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol is CCC(O)CCNC1CCCCc2ccccc21.
What is the InChIKey of 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol?
The InChIKey is PVLXEDUTOVVDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-14(18)11-12-17-16-10-6-4-8-13-7-3-5-9-15(13)16/h3,5,7,9,14,16-18H,2,4,6,8,10-12H2,1H3.
What are the key properties of 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol?
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol has a molecular weight of 247.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol is sourced from PubChem (CID 113262793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).