N,N-dimethyl-N'-pentylethanimidamide

C9H20N2 — CID 525283

IUPACN,N-dimethyl-N'-pentylethanimidamide
SMILESCCCCC/N=C(\C)N(C)C
InChIInChI=1S/C9H20N2/c1-5-6-7-8-10-9(2)11(3)4/h5-8H2,1-4H3/b10-9+
InChIKeyKQJFUMGHXAYUJI-MDZDMXLPSA-N
MW156.27 g/mol
LogP2.16
Rot. Bonds4

About N,N-dimethyl-N'-pentylethanimidamide

N,N-dimethyl-N'-pentylethanimidamide (PubChem CID 525283) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N,N-dimethyl-N'-pentylethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-pentylethanimidamide
PubChem CID525283
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN,N-dimethyl-N'-pentylethanimidamide
SMILESCCCCC/N=C(\C)N(C)C
InChIInChI=1S/C9H20N2/c1-5-6-7-8-10-9(2)11(3)4/h5-8H2,1-4H3/b10-9+
InChIKeyKQJFUMGHXAYUJI-MDZDMXLPSA-N
XLogP2.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-pentylethanimidamide?
The IUPAC name of N,N-dimethyl-N'-pentylethanimidamide (CID 525283) is N,N-dimethyl-N'-pentylethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-pentylethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-pentylethanimidamide is CCCCC/N=C(\C)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-pentylethanimidamide?
The InChIKey is KQJFUMGHXAYUJI-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-6-7-8-10-9(2)11(3)4/h5-8H2,1-4H3/b10-9+.
What are the key properties of N,N-dimethyl-N'-pentylethanimidamide?
N,N-dimethyl-N'-pentylethanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-pentylethanimidamide is sourced from PubChem (CID 525283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).