(E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide

C16H30N2 — CID 126516415

IUPAC(E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide
SMILESC=C(C)/N=C(C(=C\C)\CC)/N(CCC)[C@@H](C)CC
InChIInChI=1S/C16H30N2/c1-8-12-18(14(7)9-2)16(17-13(5)6)15(10-3)11-4/h10,14H,5,8-9,11-12H2,1-4,6-7H3/b15-10+,17-16+/t14-/m0/s1
InChIKeyRJLLDFAWGHNHHT-PIHRXACJSA-N
MW250.43 g/mol
LogP4.79
Rot. Bonds7

About (E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide

(E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide (PubChem CID 126516415) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide
PubChem CID126516415
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide
SMILESC=C(C)/N=C(C(=C\C)\CC)/N(CCC)[C@@H](C)CC
InChIInChI=1S/C16H30N2/c1-8-12-18(14(7)9-2)16(17-13(5)6)15(10-3)11-4/h10,14H,5,8-9,11-12H2,1-4,6-7H3/b15-10+,17-16+/t14-/m0/s1
InChIKeyRJLLDFAWGHNHHT-PIHRXACJSA-N
XLogP4.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
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

(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide
CID 130439404
N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide
CID 126493232
(4S,5Z,7Z)-1,4,9-trimethyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]-4,9-dihydro-1,3-diazonine
CID 129163450
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797
ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
CID 144801076
ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine
CID 145149548
(5Z,7Z)-3-methyl-9-methylidene-2-[(2Z,4E)-octa-2,4,7-trien-4-yl]-4H-1,3-diazonine
CID 146359454
methane;(NE)-N'-methyl-N-(5-methyl-3-methylidene-1-pentan-2-ylpyrrol-2-ylidene)carbamimidoyl chloride
CID 153631139
N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine
CID 154091731
N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide
CID 155716536
3-methyl-2,6-di(propan-2-yl)-4H-pyrimidine
CID 156306574
(3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine
CID 166750425

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide?
The IUPAC name of (E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide (CID 126516415) is (E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide.
What is the SMILES notation for (E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide?
The canonical SMILES for (E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide is C=C(C)/N=C(C(=C\C)\CC)/N(CCC)[C@@H](C)CC.
What is the InChIKey of (E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide?
The InChIKey is RJLLDFAWGHNHHT-PIHRXACJSA-N. The full InChI is InChI=1S/C16H30N2/c1-8-12-18(14(7)9-2)16(17-13(5)6)15(10-3)11-4/h10,14H,5,8-9,11-12H2,1-4,6-7H3/b15-10+,17-16+/t14-/m0/s1.
What are the key properties of (E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide?
(E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide has a molecular weight of 250.43 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide is sourced from PubChem (CID 126516415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).