N-butan-2-yl-N'-methyl-N-propylethanimidamide

C10H22N2 — CID 153360516

IUPACN-butan-2-yl-N'-methyl-N-propylethanimidamide
SMILESCCCN(/C(C)=N/C)C(C)CC
InChIInChI=1S/C10H22N2/c1-6-8-12(9(3)7-2)10(4)11-5/h9H,6-8H2,1-5H3/b11-10+
InChIKeyHHZWVIHQIQJESW-ZHACJKMWSA-N
MW170.30 g/mol
LogP2.55
Rot. Bonds4

About N-butan-2-yl-N'-methyl-N-propylethanimidamide

N-butan-2-yl-N'-methyl-N-propylethanimidamide (PubChem CID 153360516) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-butan-2-yl-N'-methyl-N-propylethanimidamide.

Molecular Properties

Compound NameN-butan-2-yl-N'-methyl-N-propylethanimidamide
PubChem CID153360516
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-butan-2-yl-N'-methyl-N-propylethanimidamide
SMILESCCCN(/C(C)=N/C)C(C)CC
InChIInChI=1S/C10H22N2/c1-6-8-12(9(3)7-2)10(4)11-5/h9H,6-8H2,1-5H3/b11-10+
InChIKeyHHZWVIHQIQJESW-ZHACJKMWSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.55
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-butan-2-yl-N'-methyl-N-propylethanimidamide?
The IUPAC name of N-butan-2-yl-N'-methyl-N-propylethanimidamide (CID 153360516) is N-butan-2-yl-N'-methyl-N-propylethanimidamide.
What is the SMILES notation for N-butan-2-yl-N'-methyl-N-propylethanimidamide?
The canonical SMILES for N-butan-2-yl-N'-methyl-N-propylethanimidamide is CCCN(/C(C)=N/C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N'-methyl-N-propylethanimidamide?
The InChIKey is HHZWVIHQIQJESW-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-8-12(9(3)7-2)10(4)11-5/h9H,6-8H2,1-5H3/b11-10+.
What are the key properties of N-butan-2-yl-N'-methyl-N-propylethanimidamide?
N-butan-2-yl-N'-methyl-N-propylethanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-methyl-N-propylethanimidamide is sourced from PubChem (CID 153360516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).