4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide

C13H24N4 — CID 89170042

IUPAC4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide
SMILESC=C/C=C(C)\N=C(/N)N1CCC(N(C)C)CC1
InChIInChI=1S/C13H24N4/c1-5-6-11(2)15-13(14)17-9-7-12(8-10-17)16(3)4/h5-6,12H,1,7-10H2,2-4H3,(H2,14,15)/b11-6-
InChIKeyVIWZSIRUBPKXOJ-WDZFZDKYSA-N
MW236.36 g/mol
LogP1.42
Rot. Bonds3

About 4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide

4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide (PubChem CID 89170042) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide
PubChem CID89170042
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide
SMILESC=C/C=C(C)\N=C(/N)N1CCC(N(C)C)CC1
InChIInChI=1S/C13H24N4/c1-5-6-11(2)15-13(14)17-9-7-12(8-10-17)16(3)4/h5-6,12H,1,7-10H2,2-4H3,(H2,14,15)/b11-6-
InChIKeyVIWZSIRUBPKXOJ-WDZFZDKYSA-N
XLogP1.42
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N'-[(2Z)-penta-2,4-dien-2-yl]piperazine-1-carboximidamide
CID 89170048
1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
CID 89170054
N-penta-1,3-dien-3-yl-N'-(piperidin-1-ylmethyl)methanimidamide
CID 123661281
(1E,3Z)-1-[4-(dimethylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406903
(2E,6E,8Z)-6-methyl-5-piperidin-4-yl-1,4-dihydro-1,3,5-triazonine
CID 144056664
N'-[N'-(5-aminocyclohexa-2,4-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide
CID 173924350
N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide
CID 176523672
N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide
CID 176523673

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide?
The IUPAC name of 4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide (CID 89170042) is 4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide?
The canonical SMILES for 4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide is C=C/C=C(C)\N=C(/N)N1CCC(N(C)C)CC1.
What is the InChIKey of 4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide?
The InChIKey is VIWZSIRUBPKXOJ-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-6-11(2)15-13(14)17-9-7-12(8-10-17)16(3)4/h5-6,12H,1,7-10H2,2-4H3,(H2,14,15)/b11-6-.
What are the key properties of 4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide?
4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide has a molecular weight of 236.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N'-[(2Z)-penta-2,4-dien-2-yl]piperidine-1-carboximidamide is sourced from PubChem (CID 89170042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).