2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide

C15H22N2 — CID 155015059

IUPAC2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide
SMILESC=C(C)/N=C(\N)C1=C(C)CC=C1C(=C)C(C)C
InChIInChI=1S/C15H22N2/c1-9(2)12(6)13-8-7-11(5)14(13)15(16)17-10(3)4/h8-9H,3,6-7H2,1-2,4-5H3,(H2,16,17)
InChIKeyLRFFIMOJJUAGDJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.74
Rot. Bonds4

About 2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide

2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide (PubChem CID 155015059) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide.

Molecular Properties

Compound Name2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide
PubChem CID155015059
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide
SMILESC=C(C)/N=C(\N)C1=C(C)CC=C1C(=C)C(C)C
InChIInChI=1S/C15H22N2/c1-9(2)12(6)13-8-7-11(5)14(13)15(16)17-10(3)4/h8-9H,3,6-7H2,1-2,4-5H3,(H2,16,17)
InChIKeyLRFFIMOJJUAGDJ-UHFFFAOYSA-N
XLogP3.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.74
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

3,5-Diethyl-7-methylidene-3,4-dihydroazepin-2-amine
CID 91324538
3-(3-methylbutan-2-ylidene)-4-(4-methylpent-1-en-2-yl)-6,7-dihydro-4H-quinolin-2-amine
CID 123468568
3,5-Dimethyl-7-methylidene-3,4-dihydroazepin-2-amine
CID 123487505
4-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-3-methylhex-5-enimidamide
CID 134225126
(5E)-4-methylidene-5-pentylidene-3H-pyrrol-2-amine
CID 141911912
(3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine
CID 142219483
7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine
CID 153367717
(E)-3-(1-aminoethenyl)-2-propan-2-ylidene-N'-prop-1-en-2-ylpent-3-enimidamide
CID 155015118
(4R)-6-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-4,5-dimethyl-3,4-dihydropyridin-2-amine
CID 163248285
(Z)-5-methyl-2-propan-2-ylidene-N'-prop-1-en-2-ylhept-5-enimidamide
CID 163880720
(2E)-N'-methyl-2-(2-methylpropyl)penta-2,4-dienimidamide
CID 167121987
(2Z)-2-[2-amino-5-(3-methylbutyl)pyrrol-3-ylidene]ethanimidoyl chloride
CID 170620236

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide?
The IUPAC name of 2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide (CID 155015059) is 2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide.
What is the SMILES notation for 2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide?
The canonical SMILES for 2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide is C=C(C)/N=C(\N)C1=C(C)CC=C1C(=C)C(C)C.
What is the InChIKey of 2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide?
The InChIKey is LRFFIMOJJUAGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-9(2)12(6)13-8-7-11(5)14(13)15(16)17-10(3)4/h8-9H,3,6-7H2,1-2,4-5H3,(H2,16,17).
What are the key properties of 2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide?
2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide has a molecular weight of 230.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylbut-1-en-2-yl)-N'-prop-1-en-2-ylcyclopenta-1,4-diene-1-carboximidamide is sourced from PubChem (CID 155015059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).