N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide

C7H14ClN3 — CID 123627875

IUPACN-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide
SMILESCC(C)/N=C(CCCl)/N=C/N
InChIInChI=1S/C7H14ClN3/c1-6(2)11-7(3-4-8)10-5-9/h5-6H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyNIVSITIPHIFMJS-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.41
Rot. Bonds3

About N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide

N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide (PubChem CID 123627875) has the molecular formula C7H14ClN3 and a molecular weight of 175.66 g/mol. Its IUPAC name is N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide.

Molecular Properties

Compound NameN-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide
PubChem CID123627875
Molecular FormulaC7H14ClN3
Molecular Weight175.66 g/mol
Exact Mass175.09
IUPAC NameN-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide
SMILESCC(C)/N=C(CCCl)/N=C/N
InChIInChI=1S/C7H14ClN3/c1-6(2)11-7(3-4-8)10-5-9/h5-6H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyNIVSITIPHIFMJS-UHFFFAOYSA-N
XLogP1.41
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide?
The IUPAC name of N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide (CID 123627875) is N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide.
What is the SMILES notation for N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide?
The canonical SMILES for N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide is CC(C)/N=C(CCCl)/N=C/N.
What is the InChIKey of N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide?
The InChIKey is NIVSITIPHIFMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN3/c1-6(2)11-7(3-4-8)10-5-9/h5-6H,3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide?
N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide has a molecular weight of 175.66 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide is sourced from PubChem (CID 123627875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).