N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide

C6H13N3 — CID 144511470

IUPACN-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide
SMILES[H]/N=C/N(C)/C=N/C(C)C
InChIInChI=1S/C6H13N3/c1-6(2)8-5-9(3)4-7/h4-7H,1-3H3/b7-4+,8-5+
InChIKeyYGLSSYPZTMDSQK-NSLJXJERSA-N
MW127.19 g/mol
LogP0.96
Rot. Bonds3

About N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide

N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide (PubChem CID 144511470) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide
PubChem CID144511470
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide
SMILES[H]/N=C/N(C)/C=N/C(C)C
InChIInChI=1S/C6H13N3/c1-6(2)8-5-9(3)4-7/h4-7H,1-3H3/b7-4+,8-5+
InChIKeyYGLSSYPZTMDSQK-NSLJXJERSA-N
XLogP0.96
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide?
The IUPAC name of N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide (CID 144511470) is N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide.
What is the SMILES notation for N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide?
The canonical SMILES for N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide is [H]/N=C/N(C)/C=N/C(C)C.
What is the InChIKey of N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide?
The InChIKey is YGLSSYPZTMDSQK-NSLJXJERSA-N. The full InChI is InChI=1S/C6H13N3/c1-6(2)8-5-9(3)4-7/h4-7H,1-3H3/b7-4+,8-5+.
What are the key properties of N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide?
N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide is sourced from PubChem (CID 144511470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).