N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine

C7H13N3 — CID 175635372

IUPACN,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine
SMILESC=NN(C)C1=C(C)CNC1
InChIInChI=1S/C7H13N3/c1-6-4-9-5-7(6)10(3)8-2/h9H,2,4-5H2,1,3H3
InChIKeyQXRBVPCWMSIITQ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.41
Rot. Bonds2

About N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine

N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine (PubChem CID 175635372) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine
PubChem CID175635372
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine
SMILESC=NN(C)C1=C(C)CNC1
InChIInChI=1S/C7H13N3/c1-6-4-9-5-7(6)10(3)8-2/h9H,2,4-5H2,1,3H3
InChIKeyQXRBVPCWMSIITQ-UHFFFAOYSA-N
XLogP0.41
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine?
The IUPAC name of N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine (CID 175635372) is N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine.
What is the SMILES notation for N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine?
The canonical SMILES for N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine is C=NN(C)C1=C(C)CNC1.
What is the InChIKey of N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine?
The InChIKey is QXRBVPCWMSIITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-4-9-5-7(6)10(3)8-2/h9H,2,4-5H2,1,3H3.
What are the key properties of N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine?
N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine has a molecular weight of 139.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine is sourced from PubChem (CID 175635372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).