3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol

C17H25NO — CID 103271312

IUPAC3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1CCC(NCC2CCC(O)C2)c2ccccc21
InChIInChI=1S/C17H25NO/c1-12-6-9-17(16-5-3-2-4-15(12)16)18-11-13-7-8-14(19)10-13/h2-5,12-14,17-19H,6-11H2,1H3
InChIKeyMLTLHADACZWCLB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.38
Rot. Bonds3

About 3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol

3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 103271312) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol
PubChem CID103271312
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1CCC(NCC2CCC(O)C2)c2ccccc21
InChIInChI=1S/C17H25NO/c1-12-6-9-17(16-5-3-2-4-15(12)16)18-11-13-7-8-14(19)10-13/h2-5,12-14,17-19H,6-11H2,1H3
InChIKeyMLTLHADACZWCLB-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418373
3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 106121067
N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301213
3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol
CID 114146218
1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 103874821
2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-propan-2-ylacetamide
CID 81302197
2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol
CID 106252229
4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]cyclohexan-1-ol
CID 106126377
2,2-dimethyl-3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 103917146
4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418329
4-methyl-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418185
N'-cyclopropyl-N'-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 115418399

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol (CID 103271312) is 3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol is CC1CCC(NCC2CCC(O)C2)c2ccccc21.
What is the InChIKey of 3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is MLTLHADACZWCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-6-9-17(16-5-3-2-4-15(12)16)18-11-13-7-8-14(19)10-13/h2-5,12-14,17-19H,6-11H2,1H3.
What are the key properties of 3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol?
3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103271312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).