1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol

C16H31NO2 — CID 65120782

IUPAC1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
SMILESCC1CCCC(O)(CNCC2(O)CCCCCC2)C1
InChIInChI=1S/C16H31NO2/c1-14-7-6-10-16(19,11-14)13-17-12-15(18)8-4-2-3-5-9-15/h14,17-19H,2-13H2,1H3
InChIKeyCTNLTHMJADBWND-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.60
Rot. Bonds4

About 1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol

1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 65120782) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
PubChem CID65120782
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
SMILESCC1CCCC(O)(CNCC2(O)CCCCCC2)C1
InChIInChI=1S/C16H31NO2/c1-14-7-6-10-16(19,11-14)13-17-12-15(18)8-4-2-3-5-9-15/h14,17-19H,2-13H2,1H3
InChIKeyCTNLTHMJADBWND-UHFFFAOYSA-N
XLogP2.60
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
CID 65121175
2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide
CID 96936567
1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65117297
1-[(decylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120821
1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120868
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone
CID 65120584
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
N-cyclopropyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-methylacetamide
CID 65120474
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide
CID 114385265
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pentanoic acid
CID 103254347
1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 116501341

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol (CID 65120782) is 1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol is CC1CCCC(O)(CNCC2(O)CCCCCC2)C1.
What is the InChIKey of 1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is CTNLTHMJADBWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-14-7-6-10-16(19,11-14)13-17-12-15(18)8-4-2-3-5-9-15/h14,17-19H,2-13H2,1H3.
What are the key properties of 1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol?
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65120782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).