N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide

C11H18N2 — CID 123274400

IUPACN-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide
SMILESCC/C(=N\C)NC1C=CC=CCC1
InChIInChI=1S/C11H18N2/c1-3-11(12-2)13-10-8-6-4-5-7-9-10/h4-6,8,10H,3,7,9H2,1-2H3,(H,12,13)
InChIKeyDPAJZEYPCWYMQI-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.29
Rot. Bonds2

About N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide

N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide (PubChem CID 123274400) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide
PubChem CID123274400
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide
SMILESCC/C(=N\C)NC1C=CC=CCC1
InChIInChI=1S/C11H18N2/c1-3-11(12-2)13-10-8-6-4-5-7-9-10/h4-6,8,10H,3,7,9H2,1-2H3,(H,12,13)
InChIKeyDPAJZEYPCWYMQI-UHFFFAOYSA-N
XLogP2.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

N-[1-(4-fluorocyclohepta-1,3,5-trien-1-yl)ethyl]-N'-methylethanimidamide
CID 126762958
2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propan-2-yl-2,5-dihydropyridin-6-amine
CID 56637934
2-(5-aminohexa-1,3-dienyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 73430801
4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole
CID 89098003
2-ethyl-3a,7a-dihydro-1H-benzimidazole
CID 89220153
9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine
CID 90969650
N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 121450918
N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 121451327
3-but-1-en-2-yl-N-propan-2-yl-5,6-dihydro-2H-azepin-7-amine
CID 129082407
N',2-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboximidamide
CID 130220199

Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide?
The IUPAC name of N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide (CID 123274400) is N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide.
What is the SMILES notation for N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide?
The canonical SMILES for N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide is CC/C(=N\C)NC1C=CC=CCC1.
What is the InChIKey of N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide?
The InChIKey is DPAJZEYPCWYMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-11(12-2)13-10-8-6-4-5-7-9-10/h4-6,8,10H,3,7,9H2,1-2H3,(H,12,13).
What are the key properties of N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide?
N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide has a molecular weight of 178.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide is sourced from PubChem (CID 123274400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).