1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine

C12H26N3+ — CID 101490813

IUPAC1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine
SMILESCC(C)NC(NC(C)C)=[N+]1CCCCC1
InChIInChI=1S/C12H25N3/c1-10(2)13-12(14-11(3)4)15-8-6-5-7-9-15/h10-11H,5-9H2,1-4H3,(H,13,14)/p+1
InChIKeyRKLAHHDZWUQLLZ-UHFFFAOYSA-O
MW212.36 g/mol
LogP1.53
Rot. Bonds2

About 1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine

1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine (PubChem CID 101490813) has the molecular formula C12H26N3+ and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine.

Molecular Properties

Compound Name1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine
PubChem CID101490813
Molecular FormulaC12H26N3+
Molecular Weight212.36 g/mol
Exact Mass212.21
IUPAC Name1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine
SMILESCC(C)NC(NC(C)C)=[N+]1CCCCC1
InChIInChI=1S/C12H25N3/c1-10(2)13-12(14-11(3)4)15-8-6-5-7-9-15/h10-11H,5-9H2,1-4H3,(H,13,14)/p+1
InChIKeyRKLAHHDZWUQLLZ-UHFFFAOYSA-O
XLogP1.53
TPSA27.07 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-di(propan-2-yl)piperidine-1-carboximidamide
CID 14423432
2,3-Dicyclohexyl-1,1-dimethylguanidine
CID 14423437
N-cyclohexyl-N'-methylpyrrolidine-1-carboximidamide
CID 97005164
2-Cyclohexyl-1,3-di(propan-2-yl)guanidine
CID 10585300
N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine
CID 162405389
1-(2-Imidazolin-2-yl)piperidine hydrochloride
CID 24842702
N'-methyl-N-pentyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377121
2-Methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474342
2-Methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474343
1-Ethyl-2-[4-(2-methylpiperidin-1-yl)butyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474345
2-Methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109475051
1-Ethyl-3-(1-propylpiperidin-4-yl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778300

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine?
The IUPAC name of 1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine (CID 101490813) is 1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine.
What is the SMILES notation for 1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine?
The canonical SMILES for 1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine is CC(C)NC(NC(C)C)=[N+]1CCCCC1.
What is the InChIKey of 1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine?
The InChIKey is RKLAHHDZWUQLLZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H25N3/c1-10(2)13-12(14-11(3)4)15-8-6-5-7-9-15/h10-11H,5-9H2,1-4H3,(H,13,14)/p+1.
What are the key properties of 1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine?
1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine has a molecular weight of 212.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine is sourced from PubChem (CID 101490813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).