N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide

C12H24N2 — CID 142994753

IUPACN,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide
SMILESCC/C=C(C)/N=C(\CCCC)N(C)C
InChIInChI=1S/C12H24N2/c1-6-8-10-12(14(4)5)13-11(3)9-7-2/h9H,6-8,10H2,1-5H3/b11-9+,13-12+
InChIKeyPYYYQHGFBAFIAD-GNDASISDSA-N
MW196.34 g/mol
LogP3.45
Rot. Bonds5

About N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide

N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide (PubChem CID 142994753) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide
PubChem CID142994753
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide
SMILESCC/C=C(C)/N=C(\CCCC)N(C)C
InChIInChI=1S/C12H24N2/c1-6-8-10-12(14(4)5)13-11(3)9-7-2/h9H,6-8,10H2,1-5H3/b11-9+,13-12+
InChIKeyPYYYQHGFBAFIAD-GNDASISDSA-N
XLogP3.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.45
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 N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide?
The IUPAC name of N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide (CID 142994753) is N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide is CC/C=C(C)/N=C(\CCCC)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide?
The InChIKey is PYYYQHGFBAFIAD-GNDASISDSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-8-10-12(14(4)5)13-11(3)9-7-2/h9H,6-8,10H2,1-5H3/b11-9+,13-12+.
What are the key properties of N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide?
N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(E)-pent-2-en-2-yl]pentanimidamide is sourced from PubChem (CID 142994753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).