N-(aminomethylidene)-N'-propan-2-ylmethanimidamide

C5H11N3 — CID 123438537

IUPACN-(aminomethylidene)-N'-propan-2-ylmethanimidamide
SMILESCC(C)/N=C/N=C/N
InChIInChI=1S/C5H11N3/c1-5(2)8-4-7-3-6/h3-5H,1-2H3,(H2,6,7,8)
InChIKeyKZXJKBHLHZXNCE-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.41
Rot. Bonds2

About N-(aminomethylidene)-N'-propan-2-ylmethanimidamide

N-(aminomethylidene)-N'-propan-2-ylmethanimidamide (PubChem CID 123438537) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N-(aminomethylidene)-N'-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-(aminomethylidene)-N'-propan-2-ylmethanimidamide
PubChem CID123438537
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN-(aminomethylidene)-N'-propan-2-ylmethanimidamide
SMILESCC(C)/N=C/N=C/N
InChIInChI=1S/C5H11N3/c1-5(2)8-4-7-3-6/h3-5H,1-2H3,(H2,6,7,8)
InChIKeyKZXJKBHLHZXNCE-UHFFFAOYSA-N
XLogP0.41
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.41
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(aminomethylidene)-N'-propan-2-ylmethanimidamide?
The IUPAC name of N-(aminomethylidene)-N'-propan-2-ylmethanimidamide (CID 123438537) is N-(aminomethylidene)-N'-propan-2-ylmethanimidamide.
What is the SMILES notation for N-(aminomethylidene)-N'-propan-2-ylmethanimidamide?
The canonical SMILES for N-(aminomethylidene)-N'-propan-2-ylmethanimidamide is CC(C)/N=C/N=C/N.
What is the InChIKey of N-(aminomethylidene)-N'-propan-2-ylmethanimidamide?
The InChIKey is KZXJKBHLHZXNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-5(2)8-4-7-3-6/h3-5H,1-2H3,(H2,6,7,8).
What are the key properties of N-(aminomethylidene)-N'-propan-2-ylmethanimidamide?
N-(aminomethylidene)-N'-propan-2-ylmethanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)-N'-propan-2-ylmethanimidamide is sourced from PubChem (CID 123438537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).