N-methyl-N-[3-(methylamino)propyl]propanimidamide

C8H19N3 — CID 87549397

IUPACN-methyl-N-[3-(methylamino)propyl]propanimidamide
SMILES[H]/N=C(\CC)N(C)CCCNC
InChIInChI=1S/C8H19N3/c1-4-8(9)11(3)7-5-6-10-2/h9-10H,4-7H2,1-3H3/b9-8+
InChIKeySDOACMLNJOGTJJ-CMDGGOBGSA-N
MW157.26 g/mol
LogP0.91
Rot. Bonds5

About N-methyl-N-[3-(methylamino)propyl]propanimidamide

N-methyl-N-[3-(methylamino)propyl]propanimidamide (PubChem CID 87549397) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N-methyl-N-[3-(methylamino)propyl]propanimidamide.

Molecular Properties

Compound NameN-methyl-N-[3-(methylamino)propyl]propanimidamide
PubChem CID87549397
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN-methyl-N-[3-(methylamino)propyl]propanimidamide
SMILES[H]/N=C(\CC)N(C)CCCNC
InChIInChI=1S/C8H19N3/c1-4-8(9)11(3)7-5-6-10-2/h9-10H,4-7H2,1-3H3/b9-8+
InChIKeySDOACMLNJOGTJJ-CMDGGOBGSA-N
XLogP0.91
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methyl-N-[3-(methylamino)propyl]propanimidamide?
The IUPAC name of N-methyl-N-[3-(methylamino)propyl]propanimidamide (CID 87549397) is N-methyl-N-[3-(methylamino)propyl]propanimidamide.
What is the SMILES notation for N-methyl-N-[3-(methylamino)propyl]propanimidamide?
The canonical SMILES for N-methyl-N-[3-(methylamino)propyl]propanimidamide is [H]/N=C(\CC)N(C)CCCNC.
What is the InChIKey of N-methyl-N-[3-(methylamino)propyl]propanimidamide?
The InChIKey is SDOACMLNJOGTJJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H19N3/c1-4-8(9)11(3)7-5-6-10-2/h9-10H,4-7H2,1-3H3/b9-8+.
What are the key properties of N-methyl-N-[3-(methylamino)propyl]propanimidamide?
N-methyl-N-[3-(methylamino)propyl]propanimidamide has a molecular weight of 157.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(methylamino)propyl]propanimidamide is sourced from PubChem (CID 87549397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).