3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol

C13H27NO — CID 64735795

IUPAC3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CNCC1(O)CC(C)CC(C)C1
InChIInChI=1S/C13H27NO/c1-10(2)8-14-9-13(15)6-11(3)5-12(4)7-13/h10-12,14-15H,5-9H2,1-4H3
InChIKeyBJKOYOWOIKHDRI-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.42
Rot. Bonds4

About 3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol

3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol (PubChem CID 64735795) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
PubChem CID64735795
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CNCC1(O)CC(C)CC(C)C1
InChIInChI=1S/C13H27NO/c1-10(2)8-14-9-13(15)6-11(3)5-12(4)7-13/h10-12,14-15H,5-9H2,1-4H3
InChIKeyBJKOYOWOIKHDRI-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylpropylamino)methyl]adamantan-2-ol
CID 62774728
1-[(2-methylpropylamino)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62773562
2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 64756673
1-[(2-methylpropylamino)methyl]-4-propylcyclohexan-1-ol
CID 62774717
1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 116501341
3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol
CID 114815697
1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65117297
3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile
CID 64750710
N-[2-(3,5-dimethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62423227
3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide
CID 65116289
1-(1-aminopropan-2-yl)-3,5-dimethylcyclohexan-1-ol
CID 79125773
1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 103157916

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol (CID 64735795) is 3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol is CC(C)CNCC1(O)CC(C)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
The InChIKey is BJKOYOWOIKHDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)8-14-9-13(15)6-11(3)5-12(4)7-13/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64735795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).