N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide

C13H20N2 — CID 167047049

IUPACN'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide
SMILESC=C/C=C(C)\C=C(/C)N/C(=N/C)C1CC1
InChIInChI=1S/C13H20N2/c1-5-6-10(2)9-11(3)15-13(14-4)12-7-8-12/h5-6,9,12H,1,7-8H2,2-4H3,(H,14,15)/b10-6-,11-9+
InChIKeyQHCIPJPSPFTWQD-BZLPTDEHSA-N
MW204.32 g/mol
LogP3.05
Rot. Bonds4

About N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide

N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide (PubChem CID 167047049) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide
PubChem CID167047049
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide
SMILESC=C/C=C(C)\C=C(/C)N/C(=N/C)C1CC1
InChIInChI=1S/C13H20N2/c1-5-6-10(2)9-11(3)15-13(14-4)12-7-8-12/h5-6,9,12H,1,7-8H2,2-4H3,(H,14,15)/b10-6-,11-9+
InChIKeyQHCIPJPSPFTWQD-BZLPTDEHSA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide?
The IUPAC name of N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide (CID 167047049) is N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide?
The canonical SMILES for N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide is C=C/C=C(C)\C=C(/C)N/C(=N/C)C1CC1.
What is the InChIKey of N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide?
The InChIKey is QHCIPJPSPFTWQD-BZLPTDEHSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-6-10(2)9-11(3)15-13(14-4)12-7-8-12/h5-6,9,12H,1,7-8H2,2-4H3,(H,14,15)/b10-6-,11-9+.
What are the key properties of N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide?
N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide has a molecular weight of 204.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide is sourced from PubChem (CID 167047049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).