1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol

C15H28N2O — CID 115277735

IUPAC1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol
SMILESCN1C2CCC1CN(CC1(O)CCCCC1)CC2
InChIInChI=1S/C15H28N2O/c1-16-13-5-6-14(16)11-17(10-7-13)12-15(18)8-3-2-4-9-15/h13-14,18H,2-12H2,1H3
InChIKeyPHVVCYHNCHUAED-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.85
Rot. Bonds2

About 1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol

1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol (PubChem CID 115277735) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol
PubChem CID115277735
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol
SMILESCN1C2CCC1CN(CC1(O)CCCCC1)CC2
InChIInChI=1S/C15H28N2O/c1-16-13-5-6-14(16)11-17(10-7-13)12-15(18)8-3-2-4-9-15/h13-14,18H,2-12H2,1H3
InChIKeyPHVVCYHNCHUAED-UHFFFAOYSA-N
XLogP1.85
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 63723420
[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine
CID 79170228
1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 79170953
1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 65212460
1-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 65213325
1-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 103976483
1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol
CID 118534899
1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 63631721
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
1-[(3-amino-4-methylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 65212437
1-[[3-(1-aminoethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65208581
1-[[3-[(2-methylpropylamino)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65213827

Frequently Asked Questions

What is the IUPAC name of 1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol (CID 115277735) is 1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol is CN1C2CCC1CN(CC1(O)CCCCC1)CC2.
What is the InChIKey of 1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is PHVVCYHNCHUAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16-13-5-6-14(16)11-17(10-7-13)12-15(18)8-3-2-4-9-15/h13-14,18H,2-12H2,1H3.
What are the key properties of 1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol?
1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115277735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).