N-[1-(methylamino)-3-methyliminopropyl]acetamide

C7H15N3O — CID 167231830

IUPACN-[1-(methylamino)-3-methyliminopropyl]acetamide
SMILESC/N=C/CC(NC)NC(C)=O
InChIInChI=1S/C7H15N3O/c1-6(11)10-7(9-3)4-5-8-2/h5,7,9H,4H2,1-3H3,(H,10,11)/b8-5+
InChIKeyFEMBNGCCGIUQPC-VMPITWQZSA-N
MW157.22 g/mol
LogP-0.24
Rot. Bonds4

About N-[1-(methylamino)-3-methyliminopropyl]acetamide

N-[1-(methylamino)-3-methyliminopropyl]acetamide (PubChem CID 167231830) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is N-[1-(methylamino)-3-methyliminopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(methylamino)-3-methyliminopropyl]acetamide
PubChem CID167231830
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC NameN-[1-(methylamino)-3-methyliminopropyl]acetamide
SMILESC/N=C/CC(NC)NC(C)=O
InChIInChI=1S/C7H15N3O/c1-6(11)10-7(9-3)4-5-8-2/h5,7,9H,4H2,1-3H3,(H,10,11)/b8-5+
InChIKeyFEMBNGCCGIUQPC-VMPITWQZSA-N
XLogP-0.24
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)-3-methyliminopropyl]acetamide?
The IUPAC name of N-[1-(methylamino)-3-methyliminopropyl]acetamide (CID 167231830) is N-[1-(methylamino)-3-methyliminopropyl]acetamide.
What is the SMILES notation for N-[1-(methylamino)-3-methyliminopropyl]acetamide?
The canonical SMILES for N-[1-(methylamino)-3-methyliminopropyl]acetamide is C/N=C/CC(NC)NC(C)=O.
What is the InChIKey of N-[1-(methylamino)-3-methyliminopropyl]acetamide?
The InChIKey is FEMBNGCCGIUQPC-VMPITWQZSA-N. The full InChI is InChI=1S/C7H15N3O/c1-6(11)10-7(9-3)4-5-8-2/h5,7,9H,4H2,1-3H3,(H,10,11)/b8-5+.
What are the key properties of N-[1-(methylamino)-3-methyliminopropyl]acetamide?
N-[1-(methylamino)-3-methyliminopropyl]acetamide has a molecular weight of 157.22 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)-3-methyliminopropyl]acetamide is sourced from PubChem (CID 167231830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).