1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol

C10H21NO — CID 115692707

IUPAC1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
SMILESCCC(CC)NCC1(O)CCC1
InChIInChI=1S/C10H21NO/c1-3-9(4-2)11-8-10(12)6-5-7-10/h9,11-12H,3-8H2,1-2H3
InChIKeySBXLMZNRWVTVNK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds5

About 1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol

1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol (PubChem CID 115692707) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
PubChem CID115692707
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
SMILESCCC(CC)NCC1(O)CCC1
InChIInChI=1S/C10H21NO/c1-3-9(4-2)11-8-10(12)6-5-7-10/h9,11-12H,3-8H2,1-2H3
InChIKeySBXLMZNRWVTVNK-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-((Methylamino)methyl)cyclobutan-1-ol
CID 53948623
1-[(Cyclopropylamino)methyl]cyclobutan-1-ol
CID 80500940
2-[(Cyclobutylmethyl)amino]propan-1-ol
CID 65460320
1-[(Ethylamino)methyl]cyclobutan-1-ol
CID 81251442
(2S,3S)-3-methyl-2-(2-methylpropyl)azetidin-3-ol
CID 10749293
2-(Azetidin-2-yl)propan-2-ol
CID 22340526
1-(Fluoromethyl)-3-(2-methylpropylamino)cyclobutan-1-ol
CID 146297203
3,3-Difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol
CID 176752780
1-[(2-Hydroxy-2-methylpentyl)amino]-2-methylpentan-2-ol
CID 5122784
5,5,5-Trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol
CID 66037252
1-[(1,1-Difluoropropan-2-ylamino)methyl]cyclobutan-1-ol
CID 102870130
1-(1,1-Difluoropropan-2-ylamino)-2-methylpentan-2-ol
CID 106290497

Frequently Asked Questions

What is the IUPAC name of 1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol (CID 115692707) is 1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol is CCC(CC)NCC1(O)CCC1.
What is the InChIKey of 1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol?
The InChIKey is SBXLMZNRWVTVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-9(4-2)11-8-10(12)6-5-7-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol?
1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 115692707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).