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

C16H31NO — CID 62406299

IUPAC1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol
SMILESCCC(NCC1(O)CCCCC1)C1CCCCC1
InChIInChI=1S/C16H31NO/c1-2-15(14-9-5-3-6-10-14)17-13-16(18)11-7-4-8-12-16/h14-15,17-18H,2-13H2,1H3
InChIKeyPRUOGZRZCJJRNY-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.63
Rot. Bonds5

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

1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol (PubChem CID 62406299) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol
PubChem CID62406299
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol
SMILESCCC(NCC1(O)CCCCC1)C1CCCCC1
InChIInChI=1S/C16H31NO/c1-2-15(14-9-5-3-6-10-14)17-13-16(18)11-7-4-8-12-16/h14-15,17-18H,2-13H2,1H3
InChIKeyPRUOGZRZCJJRNY-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol
CID 63490367
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
CID 81385046
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-[(1-cyclobutylethylamino)methyl]cyclopentan-1-ol
CID 115719650
2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070656
3-(1-cyclohexylpropylamino)propane-1,2-diol
CID 76943229
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
4-propan-2-yl-1-[(propan-2-ylamino)methyl]cycloheptan-1-ol
CID 65090686
3-(1-cyclohexylpropylamino)propanamide
CID 62407529
1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
CID 115692707
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-cyclopropyl-N-[(1-cyclopropylcyclobutyl)methyl]propan-1-amine
CID 115895346

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol (CID 62406299) is 1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol is CCC(NCC1(O)CCCCC1)C1CCCCC1.
What is the InChIKey of 1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol?
The InChIKey is PRUOGZRZCJJRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-15(14-9-5-3-6-10-14)17-13-16(18)11-7-4-8-12-16/h14-15,17-18H,2-13H2,1H3.
What are the key properties of 1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol?
1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.63, 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]cyclohexan-1-ol is sourced from PubChem (CID 62406299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).