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

C12H26N4 — CID 105415061

IUPAC3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C12H26N4/c1-10(11(13)14)8-16(4)9-12(15(2)3)6-5-7-12/h10H,5-9H2,1-4H3,(H3,13,14)
InChIKeyOTCNXMHMLFUULY-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.97
Rot. Bonds6

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

3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide (PubChem CID 105415061) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide
PubChem CID105415061
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C12H26N4/c1-10(11(13)14)8-16(4)9-12(15(2)3)6-5-7-12/h10H,5-9H2,1-4H3,(H3,13,14)
InChIKeyOTCNXMHMLFUULY-UHFFFAOYSA-N
XLogP0.97
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
CID 63236319
3-(dimethylamino)-2-methylpropanimidamide
CID 43368046
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105416425
1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416277
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol
CID 105418772
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61431841
2-methyl-3-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanimidamide
CID 116616117
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105417432

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide (CID 105415061) is 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide?
The InChIKey is OTCNXMHMLFUULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-10(11(13)14)8-16(4)9-12(15(2)3)6-5-7-12/h10H,5-9H2,1-4H3,(H3,13,14).
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide?
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide has a molecular weight of 226.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide is sourced from PubChem (CID 105415061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).