2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol

C24H34N2O2 — CID 14751591

IUPAC2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol
SMILESCC1CCCC1NCc1ccc2c(CNC3CCCC3C)c(O)ccc2c1O
InChIInChI=1S/C24H34N2O2/c1-15-5-3-7-21(15)25-13-17-9-10-18-19(24(17)28)11-12-23(27)20(18)14-26-22-8-4-6-16(22)2/h9-12,15-16,21-22,25-28H,3-8,13-14H2,1-2H3
InChIKeyMHTZTQXWZYHSAD-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.81
Rot. Bonds6

About 2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol

2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol (PubChem CID 14751591) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol.

Molecular Properties

Compound Name2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol
PubChem CID14751591
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol
SMILESCC1CCCC1NCc1ccc2c(CNC3CCCC3C)c(O)ccc2c1O
InChIInChI=1S/C24H34N2O2/c1-15-5-3-7-21(15)25-13-17-9-10-18-19(24(17)28)11-12-23(27)20(18)14-26-22-8-4-6-16(22)2/h9-12,15-16,21-22,25-28H,3-8,13-14H2,1-2H3
InChIKeyMHTZTQXWZYHSAD-UHFFFAOYSA-N
XLogP4.81
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol;dihydrochloride
CID 23052256
4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278120
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277735
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 114749969
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55249228
2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 103792995
2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278413
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol
CID 64910405
N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277681

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol?
The IUPAC name of 2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol (CID 14751591) is 2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol.
What is the SMILES notation for 2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol?
The canonical SMILES for 2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol is CC1CCCC1NCc1ccc2c(CNC3CCCC3C)c(O)ccc2c1O.
What is the InChIKey of 2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol?
The InChIKey is MHTZTQXWZYHSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-15-5-3-7-21(15)25-13-17-9-10-18-19(24(17)28)11-12-23(27)20(18)14-26-22-8-4-6-16(22)2/h9-12,15-16,21-22,25-28H,3-8,13-14H2,1-2H3.
What are the key properties of 2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol?
2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol has a molecular weight of 382.55 g/mol, XLogP of 4.81, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol is sourced from PubChem (CID 14751591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).