N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide

C11H19N3 — CID 173482251

IUPACN,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide
SMILES[H]/N=C(/C(C)=CNC(=C)/C=C/C)N(C)C
InChIInChI=1S/C11H19N3/c1-6-7-10(3)13-8-9(2)11(12)14(4)5/h6-8,12-13H,3H2,1-2,4-5H3/b7-6+,9-8?,12-11-
InChIKeyUUPRZJWHDOWORT-XPMGCYDESA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds4

About N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide

N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide (PubChem CID 173482251) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide.

Molecular Properties

Compound NameN,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide
PubChem CID173482251
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide
SMILES[H]/N=C(/C(C)=CNC(=C)/C=C/C)N(C)C
InChIInChI=1S/C11H19N3/c1-6-7-10(3)13-8-9(2)11(12)14(4)5/h6-8,12-13H,3H2,1-2,4-5H3/b7-6+,9-8?,12-11-
InChIKeyUUPRZJWHDOWORT-XPMGCYDESA-N
XLogP2.11
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide?
The IUPAC name of N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide (CID 173482251) is N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide.
What is the SMILES notation for N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide?
The canonical SMILES for N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide is [H]/N=C(/C(C)=CNC(=C)/C=C/C)N(C)C.
What is the InChIKey of N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide?
The InChIKey is UUPRZJWHDOWORT-XPMGCYDESA-N. The full InChI is InChI=1S/C11H19N3/c1-6-7-10(3)13-8-9(2)11(12)14(4)5/h6-8,12-13H,3H2,1-2,4-5H3/b7-6+,9-8?,12-11-.
What are the key properties of N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide?
N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide has a molecular weight of 193.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide is sourced from PubChem (CID 173482251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).