N-(propyliminomethylideneamino)methanamine

C5H11N3 — CID 176541672

IUPACN-(propyliminomethylideneamino)methanamine
SMILESCCCN=C=NNC
InChIInChI=1S/C5H11N3/c1-3-4-7-5-8-6-2/h6H,3-4H2,1-2H3
InChIKeyFUOYSFJXPWLGTP-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds3

About N-(propyliminomethylideneamino)methanamine

N-(propyliminomethylideneamino)methanamine (PubChem CID 176541672) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N-(propyliminomethylideneamino)methanamine.

Molecular Properties

Compound NameN-(propyliminomethylideneamino)methanamine
PubChem CID176541672
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN-(propyliminomethylideneamino)methanamine
SMILESCCCN=C=NNC
InChIInChI=1S/C5H11N3/c1-3-4-7-5-8-6-2/h6H,3-4H2,1-2H3
InChIKeyFUOYSFJXPWLGTP-UHFFFAOYSA-N
XLogP0.70
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
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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Related Compounds

N,N'-dipropylmethanediimine
CID 12725951
N'-pentyl-N-propylmethanediimine
CID 88904849
N-methyl-N'-propylmethanediimine
CID 18695318
N-methylmethanamine;N'-propylmethanediimine
CID 21287161
N,N-dimethylmethanamine;N-ethyl-N'-propylmethanediimine
CID 174940022
N,N'-dioctadecylmethanediimine
CID 10918627
ethene;N-methyl-N-(propyliminomethylideneamino)methanamine
CID 174595552
N-(propyliminomethylidene)methanesulfonamide
CID 119096603
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
N-propylhexa-1,3-dien-1-imine
CID 173251675
dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride
CID 22457602
2-(butyliminomethylideneamino)-N,N-dimethylethanamine
CID 134871643

Frequently Asked Questions

What is the IUPAC name of N-(propyliminomethylideneamino)methanamine?
The IUPAC name of N-(propyliminomethylideneamino)methanamine (CID 176541672) is N-(propyliminomethylideneamino)methanamine.
What is the SMILES notation for N-(propyliminomethylideneamino)methanamine?
The canonical SMILES for N-(propyliminomethylideneamino)methanamine is CCCN=C=NNC.
What is the InChIKey of N-(propyliminomethylideneamino)methanamine?
The InChIKey is FUOYSFJXPWLGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-3-4-7-5-8-6-2/h6H,3-4H2,1-2H3.
What are the key properties of N-(propyliminomethylideneamino)methanamine?
N-(propyliminomethylideneamino)methanamine has a molecular weight of 113.16 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propyliminomethylideneamino)methanamine is sourced from PubChem (CID 176541672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).