3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide

C15H25N5 — CID 105415064

IUPAC3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H25N5/c1-19(2)15(7-5-8-15)11-20(3)10-12-6-4-9-18-13(12)14(16)17/h4,6,9H,5,7-8,10-11H2,1-3H3,(H3,16,17)
InChIKeyNDGHYHIWXQCQMF-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.28
Rot. Bonds6

About 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide

3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide (PubChem CID 105415064) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide
PubChem CID105415064
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H25N5/c1-19(2)15(7-5-8-15)11-20(3)10-12-6-4-9-18-13(12)14(16)17/h4,6,9H,5,7-8,10-11H2,1-3H3,(H3,16,17)
InChIKeyNDGHYHIWXQCQMF-UHFFFAOYSA-N
XLogP1.28
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
CID 63694039
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62894381
3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62895415
3-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902
3-[(N-methylanilino)methyl]pyridine-2-carboximidamide
CID 55128400
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 81056406
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893526
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894387
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894551
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridin-3-amine
CID 105421264
3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide
CID 62895735
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893872

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide (CID 105415064) is 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide?
The InChIKey is NDGHYHIWXQCQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-19(2)15(7-5-8-15)11-20(3)10-12-6-4-9-18-13(12)14(16)17/h4,6,9H,5,7-8,10-11H2,1-3H3,(H3,16,17).
What are the key properties of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide?
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 105415064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).