[1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine

C17H33NO — CID 55192682

IUPAC[1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCC2CCCCC2)CC1
InChIInChI=1S/C17H33NO/c1-14(2)16-8-10-17(13-18,11-9-16)19-12-15-6-4-3-5-7-15/h14-16H,3-13,18H2,1-2H3
InChIKeyXHZXFHSPXFGVMO-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.13
Rot. Bonds5

About [1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine

[1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 55192682) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID55192682
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name[1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCC2CCCCC2)CC1
InChIInChI=1S/C17H33NO/c1-14(2)16-8-10-17(13-18,11-9-16)19-12-15-6-4-3-5-7-15/h14-16H,3-13,18H2,1-2H3
InChIKeyXHZXFHSPXFGVMO-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine (CID 55192682) is [1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(OCC2CCCCC2)CC1.
What is the InChIKey of [1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is XHZXFHSPXFGVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(2)16-8-10-17(13-18,11-9-16)19-12-15-6-4-3-5-7-15/h14-16H,3-13,18H2,1-2H3.
What are the key properties of [1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine?
[1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 55192682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).