[4-(dimethylamino)cyclohexyl]methanol

C9H19NO — CID 18000552

IUPAC[4-(dimethylamino)cyclohexyl]methanol
SMILESCN(C)C1CCC(CO)CC1
InChIInChI=1S/C9H19NO/c1-10(2)9-5-3-8(7-11)4-6-9/h8-9,11H,3-7H2,1-2H3
InChIKeySMXRBHSKUWPATJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds2

About [4-(dimethylamino)cyclohexyl]methanol

[4-(dimethylamino)cyclohexyl]methanol (PubChem CID 18000552) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [4-(dimethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(dimethylamino)cyclohexyl]methanol
PubChem CID18000552
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[4-(dimethylamino)cyclohexyl]methanol
SMILESCN(C)C1CCC(CO)CC1
InChIInChI=1S/C9H19NO/c1-10(2)9-5-3-8(7-11)4-6-9/h8-9,11H,3-7H2,1-2H3
InChIKeySMXRBHSKUWPATJ-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)cyclohexyl]methanol?
The IUPAC name of [4-(dimethylamino)cyclohexyl]methanol (CID 18000552) is [4-(dimethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-(dimethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-(dimethylamino)cyclohexyl]methanol is CN(C)C1CCC(CO)CC1.
What is the InChIKey of [4-(dimethylamino)cyclohexyl]methanol?
The InChIKey is SMXRBHSKUWPATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-10(2)9-5-3-8(7-11)4-6-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of [4-(dimethylamino)cyclohexyl]methanol?
[4-(dimethylamino)cyclohexyl]methanol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)cyclohexyl]methanol is sourced from PubChem (CID 18000552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).