N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide

C6H13N3 — CID 138660101

IUPACN'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide
SMILESC=NN(/C=N/C)C(C)C
InChIInChI=1S/C6H13N3/c1-6(2)9(8-4)5-7-3/h5-6H,4H2,1-3H3/b7-5+
InChIKeySNAGVOVPLRAMSN-FNORWQNLSA-N
MW127.19 g/mol
LogP0.97
Rot. Bonds3

About N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide

N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide (PubChem CID 138660101) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide
PubChem CID138660101
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide
SMILESC=NN(/C=N/C)C(C)C
InChIInChI=1S/C6H13N3/c1-6(2)9(8-4)5-7-3/h5-6H,4H2,1-3H3/b7-5+
InChIKeySNAGVOVPLRAMSN-FNORWQNLSA-N
XLogP0.97
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide?
The IUPAC name of N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide (CID 138660101) is N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide?
The canonical SMILES for N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide is C=NN(/C=N/C)C(C)C.
What is the InChIKey of N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide?
The InChIKey is SNAGVOVPLRAMSN-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13N3/c1-6(2)9(8-4)5-7-3/h5-6H,4H2,1-3H3/b7-5+.
What are the key properties of N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide?
N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 138660101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).