(2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane

C13H24N2 — CID 144655472

IUPAC(2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane
SMILESC=C/C(C)=C\C(=N/C)NCC1CC1.CC
InChIInChI=1S/C11H18N2.C2H6/c1-4-9(2)7-11(12-3)13-8-10-5-6-10;1-2/h4,7,10H,1,5-6,8H2,2-3H3,(H,12,13);1-2H3/b9-7-;
InChIKeyKBRUAGHHVCMPSB-VILQZVERSA-N
MW208.35 g/mol
LogP3.17
Rot. Bonds4

About (2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane

(2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane (PubChem CID 144655472) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane.

Molecular Properties

Compound Name(2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane
PubChem CID144655472
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane
SMILESC=C/C(C)=C\C(=N/C)NCC1CC1.CC
InChIInChI=1S/C11H18N2.C2H6/c1-4-9(2)7-11(12-3)13-8-10-5-6-10;1-2/h4,7,10H,1,5-6,8H2,2-3H3,(H,12,13);1-2H3/b9-7-;
InChIKeyKBRUAGHHVCMPSB-VILQZVERSA-N
XLogP3.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.17
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

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
9-Ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine
CID 123923845
(Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide
CID 134377458
5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine;ethane
CID 143421164
(2Z)-N',4-dimethyl-N-propylpenta-2,4-dienimidamide
CID 143692357
N,6-diethyl-2H-azepin-7-amine;ethene
CID 143712976
(Z)-N-[(2S)-butan-2-yl]-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]but-2-enimidamide
CID 173791724
N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide
CID 174366216
5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1H-1,3-diazepine
CID 143421165
N,6-diethyl-2H-azepin-7-amine
CID 143712977
N'-methyl-N-[(5-methylcyclohepta-1,4,6-trien-1-yl)methyl]butanimidamide
CID 143886694
(2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide
CID 144655473

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane?
The IUPAC name of (2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane (CID 144655472) is (2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane.
What is the SMILES notation for (2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane?
The canonical SMILES for (2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane is C=C/C(C)=C\C(=N/C)NCC1CC1.CC.
What is the InChIKey of (2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane?
The InChIKey is KBRUAGHHVCMPSB-VILQZVERSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-4-9(2)7-11(12-3)13-8-10-5-6-10;1-2/h4,7,10H,1,5-6,8H2,2-3H3,(H,12,13);1-2H3/b9-7-;.
What are the key properties of (2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane?
(2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane has a molecular weight of 208.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane is sourced from PubChem (CID 144655472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).