N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide

C11H18N2 — CID 143258576

IUPACN'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide
SMILESCCCN/C(=N\C)C1=CCCC=C1
InChIInChI=1S/C11H18N2/c1-3-9-13-11(12-2)10-7-5-4-6-8-10/h5,7-8H,3-4,6,9H2,1-2H3,(H,12,13)
InChIKeyYMAVIRQCHYHPNC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.29
Rot. Bonds3

About N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide

N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide (PubChem CID 143258576) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide
PubChem CID143258576
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide
SMILESCCCN/C(=N\C)C1=CCCC=C1
InChIInChI=1S/C11H18N2/c1-3-9-13-11(12-2)10-7-5-4-6-8-10/h5,7-8H,3-4,6,9H2,1-2H3,(H,12,13)
InChIKeyYMAVIRQCHYHPNC-UHFFFAOYSA-N
XLogP2.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E)-2-[1-ethyl-5-[(E)-2-fluoropent-2-enyl]-6-methylimino-3-pyridinyl]-N-methylprop-1-en-1-amine
CID 143915749
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CID 20467551
2-penta-1,3-dien-3-yl-4,5-dihydro-1H-imidazole
CID 54153772
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propyl-2,5-dihydropyridin-6-amine
CID 56630298
2-methyl-N'-propan-2-yl-3a,7a-dihydro-3H-benzimidazole-5-carboximidamide
CID 58856209
2-Phenyl-1,4,5,6-tetrahydropyrimidine;yttrium
CID 60071978
(3E,5Z)-N-ethyl-N',3,6,7-tetramethylocta-3,5,7-trienimidamide
CID 89311716
2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
CID 90077005
6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 91085484
7-ethyl-2,3,4,8-tetrahydro-1H-pyrido[2,3-b]azepine
CID 91251223
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide (CID 143258576) is N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide is CCCN/C(=N\C)C1=CCCC=C1.
What is the InChIKey of N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is YMAVIRQCHYHPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-9-13-11(12-2)10-7-5-4-6-8-10/h5,7-8H,3-4,6,9H2,1-2H3,(H,12,13).
What are the key properties of N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide?
N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 178.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 143258576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).