5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol

C10H22N2O — CID 107207362

IUPAC5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)C1CC(N)C1
InChIInChI=1S/C10H22N2O/c1-12(5-3-2-4-6-13)10-7-9(11)8-10/h9-10,13H,2-8,11H2,1H3
InChIKeyHVADMJHMPOVYCO-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.57
Rot. Bonds6

About 5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol

5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol (PubChem CID 107207362) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol
PubChem CID107207362
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)C1CC(N)C1
InChIInChI=1S/C10H22N2O/c1-12(5-3-2-4-6-13)10-7-9(11)8-10/h9-10,13H,2-8,11H2,1H3
InChIKeyHVADMJHMPOVYCO-UHFFFAOYSA-N
XLogP0.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(Isopropylamino)pentanol
CID 414092
5-[(4-Amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol
CID 107198476
5-(Butan-2-ylamino)pentan-1-ol
CID 245050
5-[3-(Ethylamino)propylamino]pentan-1-ol
CID 12610499
5-(4-Aminopiperidin-1-yl)pentan-1-ol
CID 18002164
2-Amino-5-(dimethylamino)pentan-1-ol
CID 18316849
5-[2-Aminoethyl(methyl)amino]pentan-1-ol
CID 20745778
4-Amino-6-(dimethylamino)hexan-2-ol
CID 21617264
5-(Propan-2-ylamino)pentan-1-ol;hydrochloride
CID 24186806
5-[(1-Methylpiperidin-4-yl)amino]pentan-1-ol
CID 62227895
5-Amino-3-[di(propan-2-yl)amino]pentan-1-ol
CID 87071386
5-(Dimethylamino)-3-(methylamino)pentan-1-ol
CID 87086766

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol (CID 107207362) is 5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol is CN(CCCCCO)C1CC(N)C1.
What is the InChIKey of 5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol?
The InChIKey is HVADMJHMPOVYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-12(5-3-2-4-6-13)10-7-9(11)8-10/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol?
5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107207362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).