N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide

C7H15N3 — CID 146429918

IUPACN-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide
SMILESC=NCN(C)/C=N/CCC
InChIInChI=1S/C7H15N3/c1-4-5-9-7-10(3)6-8-2/h7H,2,4-6H2,1,3H3/b9-7+
InChIKeyZKASCQDHUREKQE-VQHVLOKHSA-N
MW141.22 g/mol
LogP1.01
Rot. Bonds5

About N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide

N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide (PubChem CID 146429918) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide
PubChem CID146429918
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide
SMILESC=NCN(C)/C=N/CCC
InChIInChI=1S/C7H15N3/c1-4-5-9-7-10(3)6-8-2/h7H,2,4-6H2,1,3H3/b9-7+
InChIKeyZKASCQDHUREKQE-VQHVLOKHSA-N
XLogP1.01
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.01
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide?
The IUPAC name of N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide (CID 146429918) is N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide.
What is the SMILES notation for N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide?
The canonical SMILES for N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide is C=NCN(C)/C=N/CCC.
What is the InChIKey of N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide?
The InChIKey is ZKASCQDHUREKQE-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H15N3/c1-4-5-9-7-10(3)6-8-2/h7H,2,4-6H2,1,3H3/b9-7+.
What are the key properties of N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide?
N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide has a molecular weight of 141.22 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(methylideneamino)methyl]-N'-propylmethanimidamide is sourced from PubChem (CID 146429918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).