4-[di(cyclobutyl)methylamino]cyclohexan-1-ol

C15H27NO — CID 114274433

IUPAC4-[di(cyclobutyl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NC(C2CCC2)C2CCC2)CC1
InChIInChI=1S/C15H27NO/c17-14-9-7-13(8-10-14)16-15(11-3-1-4-11)12-5-2-6-12/h11-17H,1-10H2
InChIKeyBUSBYRCOGCMZNK-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.85
Rot. Bonds4

About 4-[di(cyclobutyl)methylamino]cyclohexan-1-ol

4-[di(cyclobutyl)methylamino]cyclohexan-1-ol (PubChem CID 114274433) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-[di(cyclobutyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[di(cyclobutyl)methylamino]cyclohexan-1-ol
PubChem CID114274433
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-[di(cyclobutyl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NC(C2CCC2)C2CCC2)CC1
InChIInChI=1S/C15H27NO/c17-14-9-7-13(8-10-14)16-15(11-3-1-4-11)12-5-2-6-12/h11-17H,1-10H2
InChIKeyBUSBYRCOGCMZNK-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)cyclopropanamine
CID 16783025
4-(1-cyclobutylethylamino)cyclohexan-1-ol
CID 103775411
4-(1-cyclobutylpropan-2-ylamino)cyclohexan-1-ol
CID 103904559
4-(1-cyclopentylpropan-2-ylamino)cyclohexan-1-ol
CID 103904582
cyclobutanol;cyclopropanol
CID 175019048
N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine
CID 112743180
2-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylpropanamide
CID 103602120
cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol
CID 156720236
4-(but-3-yn-2-ylamino)cyclohexan-1-ol
CID 106595269
cis-(1R,3S)-3-(propan-2-ylamino)cyclopentan-1-ol
CID 130990833
cyclohexane-1,4-diol
CID 11162
4-(3-methylpentan-2-ylamino)cyclohexan-1-ol
CID 43201193

Frequently Asked Questions

What is the IUPAC name of 4-[di(cyclobutyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[di(cyclobutyl)methylamino]cyclohexan-1-ol (CID 114274433) is 4-[di(cyclobutyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[di(cyclobutyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[di(cyclobutyl)methylamino]cyclohexan-1-ol is OC1CCC(NC(C2CCC2)C2CCC2)CC1.
What is the InChIKey of 4-[di(cyclobutyl)methylamino]cyclohexan-1-ol?
The InChIKey is BUSBYRCOGCMZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-14-9-7-13(8-10-14)16-15(11-3-1-4-11)12-5-2-6-12/h11-17H,1-10H2.
What are the key properties of 4-[di(cyclobutyl)methylamino]cyclohexan-1-ol?
4-[di(cyclobutyl)methylamino]cyclohexan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[di(cyclobutyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 114274433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).