2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide

C11H20N2 — CID 90783163

IUPAC2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide
SMILESC=C(CC)/C(=N\CCC)NC=CC
InChIInChI=1S/C11H20N2/c1-5-8-12-11(10(4)7-3)13-9-6-2/h5,8H,4,6-7,9H2,1-3H3,(H,12,13)
InChIKeyDJAFKBNGAHCQGH-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.88
Rot. Bonds5

About 2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide

2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide (PubChem CID 90783163) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide.

Molecular Properties

Compound Name2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide
PubChem CID90783163
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide
SMILESC=C(CC)/C(=N\CCC)NC=CC
InChIInChI=1S/C11H20N2/c1-5-8-12-11(10(4)7-3)13-9-6-2/h5,8H,4,6-7,9H2,1-3H3,(H,12,13)
InChIKeyDJAFKBNGAHCQGH-UHFFFAOYSA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.88
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

(3Z)-3-ethylidene-N-(1-fluoroethyl)-1H-pyrrol-2-imine
CID 173810774
N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine
CID 145149501
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 91246509
4-Ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine
CID 123143968
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
CID 123477375
2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide
CID 123851049
(4Z)-N-ethenyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 123900638
N-ethenyl-5-ethyl-2,3-dihydropyridin-6-amine
CID 123914489
N-ethenyl-3-propan-2-ylidenepyrrol-2-amine
CID 129157578
5-Methyl-2,3,5,8-tetrahydropyrrolo[2,3-b]azepine
CID 132065976

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide?
The IUPAC name of 2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide (CID 90783163) is 2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide.
What is the SMILES notation for 2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide?
The canonical SMILES for 2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide is C=C(CC)/C(=N\CCC)NC=CC.
What is the InChIKey of 2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide?
The InChIKey is DJAFKBNGAHCQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-8-12-11(10(4)7-3)13-9-6-2/h5,8H,4,6-7,9H2,1-3H3,(H,12,13).
What are the key properties of 2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide?
2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide has a molecular weight of 180.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide is sourced from PubChem (CID 90783163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).