(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide

C11H24N4 — CID 59069931

IUPAC(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC[C@H](NC(C)C)C1C
InChIInChI=1S/C11H24N4/c1-8(2)14-10-6-5-7-15(9(10)3)11(12)13-4/h8-10,14H,5-7H2,1-4H3,(H2,12,13)/t9?,10-/m0/s1
InChIKeyNGOGPVIGXPOKRA-AXDSSHIGSA-N
MW212.34 g/mol
LogP0.78
Rot. Bonds2

About (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide

(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide (PubChem CID 59069931) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide.

Molecular Properties

Compound Name(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide
PubChem CID59069931
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC[C@H](NC(C)C)C1C
InChIInChI=1S/C11H24N4/c1-8(2)14-10-6-5-7-15(9(10)3)11(12)13-4/h8-10,14H,5-7H2,1-4H3,(H2,12,13)/t9?,10-/m0/s1
InChIKeyNGOGPVIGXPOKRA-AXDSSHIGSA-N
XLogP0.78
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(4S)-1-[4-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]butyl]-4-butyl-4,5-dihydroimidazol-2-amine
CID 145963441
1-[4-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]butyl]-4,5-dihydroimidazol-2-amine
CID 145963568
(5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine
CID 23640806
N,N'-di(propan-2-yl)piperidine-1-carboximidamide
CID 14423432
1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine
CID 101490813
1,1,3,3-Tetramethyl-2-[2,5,6-tris[bis(dimethylamino)methylideneamino]-1,2,3,4,5,6-hexahydropyridin-1-ium-4-ylium-3-yl]guanidine
CID 138982106
2-[2-(2-Methylpiperidin-1-yl)ethyl]guanidine
CID 26492
N-[7-(dimethylamino)heptyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376249
N-ethyl-N'-pentyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376882
N-ethyl-N'-pentyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376883
N'-methyl-N-pentyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377120
N'-methyl-N-pentyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377121

Frequently Asked Questions

What is the IUPAC name of (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide?
The IUPAC name of (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide (CID 59069931) is (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide.
What is the SMILES notation for (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide?
The canonical SMILES for (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide is C/N=C(\N)N1CCC[C@H](NC(C)C)C1C.
What is the InChIKey of (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide?
The InChIKey is NGOGPVIGXPOKRA-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24N4/c1-8(2)14-10-6-5-7-15(9(10)3)11(12)13-4/h8-10,14H,5-7H2,1-4H3,(H2,12,13)/t9?,10-/m0/s1.
What are the key properties of (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide?
(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide has a molecular weight of 212.34 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide is sourced from PubChem (CID 59069931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).