3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol

C12H23NO — CID 130693816

IUPAC3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol
SMILESCC1(C)CC(NCC2CCC(O)C2)C1
InChIInChI=1S/C12H23NO/c1-12(2)6-10(7-12)13-8-9-3-4-11(14)5-9/h9-11,13-14H,3-8H2,1-2H3
InChIKeyZFBZQDJTBBCCKJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.93
Rot. Bonds3

About 3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol

3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol (PubChem CID 130693816) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol
PubChem CID130693816
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol
SMILESCC1(C)CC(NCC2CCC(O)C2)C1
InChIInChI=1S/C12H23NO/c1-12(2)6-10(7-12)13-8-9-3-4-11(14)5-9/h9-11,13-14H,3-8H2,1-2H3
InChIKeyZFBZQDJTBBCCKJ-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2,4,4-Trimethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 121518385
3-[(6,6,6-Trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271422
3-[(1,1-Difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
CID 106120786
3-[(2-Fluoroethylamino)methyl]cyclopentan-1-ol
CID 106129005
3-[(3-Fluoropropylamino)methyl]cyclopentan-1-ol
CID 106129076
trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 58671596
3-[(Propan-2-ylamino)methyl]cyclopentan-1-ol
CID 58787020
[3-[(1-Ethylcyclobutyl)methylamino]cyclobutyl]methanol
CID 68762928
cis-(1R,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 121357701
trans-(1S,3S)-3-(ethylaminomethyl)cyclopentan-1-ol
CID 121358996
3-[2-(Propan-2-ylamino)ethyl]cyclobutan-1-ol
CID 131214899
3-[2-(2,2-Dimethylpropylamino)ethyl]cyclopentan-1-ol
CID 134293456

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol (CID 130693816) is 3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol is CC1(C)CC(NCC2CCC(O)C2)C1.
What is the InChIKey of 3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is ZFBZQDJTBBCCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2)6-10(7-12)13-8-9-3-4-11(14)5-9/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol?
3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 130693816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).