N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide

C13H24N2 — CID 12709002

IUPACN,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide
SMILESC=CC/N=C(\CC=C(C)C)N(CC)CC
InChIInChI=1S/C13H24N2/c1-6-11-14-13(10-9-12(4)5)15(7-2)8-3/h6,9H,1,7-8,10-11H2,2-5H3/b14-13+
InChIKeyIYYFWMBCVVBTHL-BUHFOSPRSA-N
MW208.35 g/mol
LogP3.27
Rot. Bonds6

About N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide

N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide (PubChem CID 12709002) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide
PubChem CID12709002
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide
SMILESC=CC/N=C(\CC=C(C)C)N(CC)CC
InChIInChI=1S/C13H24N2/c1-6-11-14-13(10-9-12(4)5)15(7-2)8-3/h6,9H,1,7-8,10-11H2,2-5H3/b14-13+
InChIKeyIYYFWMBCVVBTHL-BUHFOSPRSA-N
XLogP3.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.27
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide
CID 139494587
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CID 12218528
N,N-diethyl-6-methyl-3H-azepin-2-amine
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N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
N,N-diethyl-3,5-dimethyl-3H-azepin-2-amine
CID 85790494
N,N-diethyl-3,6-dimethyl-3H-azepin-2-amine
CID 85790496
N,N-diethyl-5,6-dimethyl-3H-azepin-2-amine
CID 172418770
Fbwwiurjvnwyoc-pfondfgasa-
CID 23266559
Rywfhjyzndbshf-benrwuelsa-
CID 23272377
Urqhmiopmodyon-seyxrhqnsa-
CID 23272502
1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine
CID 56605961
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CID 56614380

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide?
The IUPAC name of N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide (CID 12709002) is N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide.
What is the SMILES notation for N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide?
The canonical SMILES for N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide is C=CC/N=C(\CC=C(C)C)N(CC)CC.
What is the InChIKey of N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide?
The InChIKey is IYYFWMBCVVBTHL-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-11-14-13(10-9-12(4)5)15(7-2)8-3/h6,9H,1,7-8,10-11H2,2-5H3/b14-13+.
What are the key properties of N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide?
N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide has a molecular weight of 208.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide is sourced from PubChem (CID 12709002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).