[4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol

C12H25NO — CID 61047794

IUPAC[4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCCC1CCC(CO)(NC(C)C)CC1
InChIInChI=1S/C12H25NO/c1-4-11-5-7-12(9-14,8-6-11)13-10(2)3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyWKWRDEDSMRDSFB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds4

About [4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol

[4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 61047794) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID61047794
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCCC1CCC(CO)(NC(C)C)CC1
InChIInChI=1S/C12H25NO/c1-4-11-5-7-12(9-14,8-6-11)13-10(2)3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyWKWRDEDSMRDSFB-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol (CID 61047794) is [4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol is CCC1CCC(CO)(NC(C)C)CC1.
What is the InChIKey of [4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is WKWRDEDSMRDSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11-5-7-12(9-14,8-6-11)13-10(2)3/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of [4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol?
[4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 61047794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).