1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol

C17H33NO — CID 63490367

IUPAC1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol
SMILESCCC(NCC1(O)CCCCCC1)C1CCCCC1
InChIInChI=1S/C17H33NO/c1-2-16(15-10-6-5-7-11-15)18-14-17(19)12-8-3-4-9-13-17/h15-16,18-19H,2-14H2,1H3
InChIKeyFMCCAFXHYKLEIZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.02
Rot. Bonds5

About 1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol

1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol (PubChem CID 63490367) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol
PubChem CID63490367
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol
SMILESCCC(NCC1(O)CCCCCC1)C1CCCCC1
InChIInChI=1S/C17H33NO/c1-2-16(15-10-6-5-7-11-15)18-14-17(19)12-8-3-4-9-13-17/h15-16,18-19H,2-14H2,1H3
InChIKeyFMCCAFXHYKLEIZ-UHFFFAOYSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol (CID 63490367) is 1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol is CCC(NCC1(O)CCCCCC1)C1CCCCC1.
What is the InChIKey of 1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol?
The InChIKey is FMCCAFXHYKLEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-16(15-10-6-5-7-11-15)18-14-17(19)12-8-3-4-9-13-17/h15-16,18-19H,2-14H2,1H3.
What are the key properties of 1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol?
1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 63490367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).