[1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol

C12H23NO — CID 102551256

IUPAC[1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol
SMILESCC1CC1(CN)C(O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-9-7-12(9,8-13)11(14)10-5-3-2-4-6-10/h9-11,14H,2-8,13H2,1H3
InChIKeyOKDTXXRTUUESEP-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.91
Rot. Bonds3

About [1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol

[1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol (PubChem CID 102551256) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol
PubChem CID102551256
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol
SMILESCC1CC1(CN)C(O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-9-7-12(9,8-13)11(14)10-5-3-2-4-6-10/h9-11,14H,2-8,13H2,1H3
InChIKeyOKDTXXRTUUESEP-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol?
The IUPAC name of [1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol (CID 102551256) is [1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol.
What is the SMILES notation for [1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol?
The canonical SMILES for [1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol is CC1CC1(CN)C(O)C1CCCCC1.
What is the InChIKey of [1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol?
The InChIKey is OKDTXXRTUUESEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-7-12(9,8-13)11(14)10-5-3-2-4-6-10/h9-11,14H,2-8,13H2,1H3.
What are the key properties of [1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol?
[1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol has a molecular weight of 197.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2-methylcyclopropyl]-cyclohexylmethanol is sourced from PubChem (CID 102551256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).