4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol

C18H29NO — CID 106349083

IUPAC4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NC1CCCCc2ccccc21
InChIInChI=1S/C18H29NO/c1-18(2,3)17(12-13-20)19-16-11-7-5-9-14-8-4-6-10-15(14)16/h4,6,8,10,16-17,19-20H,5,7,9,11-13H2,1-3H3
InChIKeyFJINYJGJHWODIP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.84
Rot. Bonds4

About 4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol

4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol (PubChem CID 106349083) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol
PubChem CID106349083
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NC1CCCCc2ccccc21
InChIInChI=1S/C18H29NO/c1-18(2,3)17(12-13-20)19-16-11-7-5-9-14-8-4-6-10-15(14)16/h4,6,8,10,16-17,19-20H,5,7,9,11-13H2,1-3H3
InChIKeyFJINYJGJHWODIP-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol with MolForge

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Related Compounds

4-methoxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-1-ol
CID 103785520
2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
CID 153344227
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 66091347
(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol
CID 107862596
3-[(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348992
3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
CID 114094230
N-[(1R)-1-cycloheptylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81390131
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 65054889
N-hex-1-yn-3-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106226695

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol (CID 106349083) is 4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol is CC(C)(C)C(CCO)NC1CCCCc2ccccc21.
What is the InChIKey of 4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol?
The InChIKey is FJINYJGJHWODIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)17(12-13-20)19-16-11-7-5-9-14-8-4-6-10-15(14)16/h4,6,8,10,16-17,19-20H,5,7,9,11-13H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol?
4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol is sourced from PubChem (CID 106349083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).