(E)-N'-amino-N,N-diethylpent-3-enimidamide

C9H19N3 — CID 12576986

IUPAC(E)-N'-amino-N,N-diethylpent-3-enimidamide
SMILESC/C=C/C/C(=N\N)N(CC)CC
InChIInChI=1S/C9H19N3/c1-4-7-8-9(11-10)12(5-2)6-3/h4,7H,5-6,8,10H2,1-3H3/b7-4+,11-9+
InChIKeyFQTLNSTUIKOBCG-WUZDHUPESA-N
MW169.27 g/mol
LogP1.57
Rot. Bonds4

About (E)-N'-amino-N,N-diethylpent-3-enimidamide

(E)-N'-amino-N,N-diethylpent-3-enimidamide (PubChem CID 12576986) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-N'-amino-N,N-diethylpent-3-enimidamide.

Molecular Properties

Compound Name(E)-N'-amino-N,N-diethylpent-3-enimidamide
PubChem CID12576986
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(E)-N'-amino-N,N-diethylpent-3-enimidamide
SMILESC/C=C/C/C(=N\N)N(CC)CC
InChIInChI=1S/C9H19N3/c1-4-7-8-9(11-10)12(5-2)6-3/h4,7H,5-6,8,10H2,1-3H3/b7-4+,11-9+
InChIKeyFQTLNSTUIKOBCG-WUZDHUPESA-N
XLogP1.57
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 91247425
CID 91247425
Fbwwiurjvnwyoc-pfondfgasa-
CID 23266559
Csyckzpjmfafeu-zzssdcadsa-
CID 23266851
Hguzpyblohxodx-saokqglqsa-
CID 23266994
Rywfhjyzndbshf-benrwuelsa-
CID 23272377
Yoxodfgwivdktc-gwvnssqisa-
CID 23272433
Wlazfhhgdwntgp-sqxbumsnsa-
CID 23272434
Urqhmiopmodyon-seyxrhqnsa-
CID 23272502
N,N-diethyl-2,5-dihydropyridin-6-amine
CID 56625538
(1-Methyl-2,5-dihydropyridin-6-ylidene)hydrazine
CID 56628764
1-methyl-N-propyl-2,5-dihydropyridin-6-imine
CID 56633011
(Z)-(1,2-dimethyl-2,5-dihydropyridin-6-ylidene)hydrazine
CID 142847969

Frequently Asked Questions

What is the IUPAC name of (E)-N'-amino-N,N-diethylpent-3-enimidamide?
The IUPAC name of (E)-N'-amino-N,N-diethylpent-3-enimidamide (CID 12576986) is (E)-N'-amino-N,N-diethylpent-3-enimidamide.
What is the SMILES notation for (E)-N'-amino-N,N-diethylpent-3-enimidamide?
The canonical SMILES for (E)-N'-amino-N,N-diethylpent-3-enimidamide is C/C=C/C/C(=N\N)N(CC)CC.
What is the InChIKey of (E)-N'-amino-N,N-diethylpent-3-enimidamide?
The InChIKey is FQTLNSTUIKOBCG-WUZDHUPESA-N. The full InChI is InChI=1S/C9H19N3/c1-4-7-8-9(11-10)12(5-2)6-3/h4,7H,5-6,8,10H2,1-3H3/b7-4+,11-9+.
What are the key properties of (E)-N'-amino-N,N-diethylpent-3-enimidamide?
(E)-N'-amino-N,N-diethylpent-3-enimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-amino-N,N-diethylpent-3-enimidamide is sourced from PubChem (CID 12576986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).