(Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide

C11H20N2 — CID 142083608

IUPAC(Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide
SMILES[H]/N=C(\C(=C)/C=C\C)N(C)CCCC
InChIInChI=1S/C11H20N2/c1-5-7-9-13(4)11(12)10(3)8-6-2/h6,8,12H,3,5,7,9H2,1-2,4H3/b8-6-,12-11+
InChIKeyIRLQNEYGNKWGLX-JKJKEFMNSA-N
MW180.29 g/mol
LogP2.83
Rot. Bonds5

About (Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide

(Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide (PubChem CID 142083608) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide.

Molecular Properties

Compound Name(Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide
PubChem CID142083608
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide
SMILES[H]/N=C(\C(=C)/C=C\C)N(C)CCCC
InChIInChI=1S/C11H20N2/c1-5-7-9-13(4)11(12)10(3)8-6-2/h6,8,12H,3,5,7,9H2,1-2,4H3/b8-6-,12-11+
InChIKeyIRLQNEYGNKWGLX-JKJKEFMNSA-N
XLogP2.83
TPSA27.09 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 ≤ 52.83
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine
CID 142082960
5-Fluoro-2-methylidene-1-piperidin-1-ylhept-3-en-1-imine
CID 142083480
(Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide
CID 142083665
5-Methyl-1-(2-methylpropanimidoyl)pyridin-2-imine
CID 91128581
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
N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide
CID 123919129
1-Ethanimidoyl-5-methylpyridin-2-imine
CID 129033488
(2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine
CID 129041517
3,6-diethyl-N-methyl-1,2-dihydroazepin-7-imine
CID 136646954
1-(4-Methyl-2,3,6,7-tetrahydroazepin-1-yl)prop-2-en-1-imine
CID 137507598
methyl-[(3Z)-2-methylidenehexa-3,5-dienimidoyl]azanide;rubidium(1+)
CID 141973035
ethane;N-ethyl-N,5-dimethylcyclohepta-1,4,6-triene-1-carboximidamide
CID 141997058

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide?
The IUPAC name of (Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide (CID 142083608) is (Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide.
What is the SMILES notation for (Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide?
The canonical SMILES for (Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide is [H]/N=C(\C(=C)/C=C\C)N(C)CCCC.
What is the InChIKey of (Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide?
The InChIKey is IRLQNEYGNKWGLX-JKJKEFMNSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-7-9-13(4)11(12)10(3)8-6-2/h6,8,12H,3,5,7,9H2,1-2,4H3/b8-6-,12-11+.
What are the key properties of (Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide?
(Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide has a molecular weight of 180.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide is sourced from PubChem (CID 142083608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).