3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide

C12H25N3O — CID 114949780

IUPAC3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CC1(O)CCCC1
InChIInChI=1S/C12H25N3O/c1-3-10(8-11(13)14)15(2)9-12(16)6-4-5-7-12/h10,16H,3-9H2,1-2H3,(H3,13,14)
InChIKeyCWYBCRSCWKOOIJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.33
Rot. Bonds6

About 3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide

3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide (PubChem CID 114949780) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide.

Molecular Properties

Compound Name3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
PubChem CID114949780
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CC1(O)CCCC1
InChIInChI=1S/C12H25N3O/c1-3-10(8-11(13)14)15(2)9-12(16)6-4-5-7-12/h10,16H,3-9H2,1-2H3,(H3,13,14)
InChIKeyCWYBCRSCWKOOIJ-UHFFFAOYSA-N
XLogP1.33
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol
CID 114948519
3-[2-hydroxypropyl(methyl)amino]pentanimidamide
CID 62334468
4-[[methyl(pentan-3-yl)amino]methyl]piperidin-4-ol
CID 62221672
3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide
CID 63982121
2-[(1-hydroxycyclopentyl)methyl-methylamino]propanethioamide
CID 114949527
3-[methyl(oxan-4-yl)amino]pentanimidamide
CID 43611267
3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide
CID 61417055
3-[bis(2-methoxyethyl)amino]pentanimidamide
CID 61418773
3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
CID 54994326
1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-ol
CID 65212496
ethyl 4-hydroxy-4-[[methyl(pentan-3-yl)amino]methyl]cyclohexane-1-carboxylate
CID 106498461
3-aminopentanimidamide
CID 79498775

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide?
The IUPAC name of 3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide (CID 114949780) is 3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide.
What is the SMILES notation for 3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide?
The canonical SMILES for 3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide is [H]/N=C(\N)CC(CC)N(C)CC1(O)CCCC1.
What is the InChIKey of 3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide?
The InChIKey is CWYBCRSCWKOOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-10(8-11(13)14)15(2)9-12(16)6-4-5-7-12/h10,16H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of 3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide?
3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide is sourced from PubChem (CID 114949780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).