(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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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).