3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol

C13H25NO — CID 103578521

IUPAC3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)C1CC(NCC2CCC(O)C2)C1
InChIInChI=1S/C13H25NO/c1-9(2)11-6-12(7-11)14-8-10-3-4-13(15)5-10/h9-15H,3-8H2,1-2H3
InChIKeyUQFQKVPRAJGSAQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.17
Rot. Bonds4

About 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol

3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol (PubChem CID 103578521) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol
PubChem CID103578521
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)C1CC(NCC2CCC(O)C2)C1
InChIInChI=1S/C13H25NO/c1-9(2)11-6-12(7-11)14-8-10-3-4-13(15)5-10/h9-15H,3-8H2,1-2H3
InChIKeyUQFQKVPRAJGSAQ-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol
CID 103562049
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565225
3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 130693816
3-[(1-cyclopropylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271439
3-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 103270977
3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol
CID 114146190
N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561823
3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 107167877
N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561813
4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol
CID 106594762
3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 106121067

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol (CID 103578521) is 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol is CC(C)C1CC(NCC2CCC(O)C2)C1.
What is the InChIKey of 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is UQFQKVPRAJGSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)11-6-12(7-11)14-8-10-3-4-13(15)5-10/h9-15H,3-8H2,1-2H3.
What are the key properties of 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol?
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103578521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).