N'-(2-methylprop-2-enoxy)propane-1,3-diamine

C7H16N2O — CID 122606327

IUPACN'-(2-methylprop-2-enoxy)propane-1,3-diamine
SMILESC=C(C)CONCCCN
InChIInChI=1S/C7H16N2O/c1-7(2)6-10-9-5-3-4-8/h9H,1,3-6,8H2,2H3
InChIKeyDHTSBZWRAKUDOS-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.43
Rot. Bonds6

About N'-(2-methylprop-2-enoxy)propane-1,3-diamine

N'-(2-methylprop-2-enoxy)propane-1,3-diamine (PubChem CID 122606327) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N'-(2-methylprop-2-enoxy)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylprop-2-enoxy)propane-1,3-diamine
PubChem CID122606327
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN'-(2-methylprop-2-enoxy)propane-1,3-diamine
SMILESC=C(C)CONCCCN
InChIInChI=1S/C7H16N2O/c1-7(2)6-10-9-5-3-4-8/h9H,1,3-6,8H2,2H3
InChIKeyDHTSBZWRAKUDOS-UHFFFAOYSA-N
XLogP0.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylprop-2-enoxyamino)propan-2-ol;hydrochloride
CID 173409321
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
2-(5-aminopentylamino)oxyethanol
CID 88588722
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699
N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine
CID 22616707
ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen
CID 168904058
2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene
CID 10942706
S-[2-(3-aminopropylamino)ethyl] ethanethioate;dihydrobromide
CID 10337177
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
2-amino-N-(2-methylprop-2-enoxy)propanamide
CID 131226983
1-[diacetyl-(3-aminopropylamino)silyl]ethanone
CID 164579565

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylprop-2-enoxy)propane-1,3-diamine?
The IUPAC name of N'-(2-methylprop-2-enoxy)propane-1,3-diamine (CID 122606327) is N'-(2-methylprop-2-enoxy)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylprop-2-enoxy)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylprop-2-enoxy)propane-1,3-diamine is C=C(C)CONCCCN.
What is the InChIKey of N'-(2-methylprop-2-enoxy)propane-1,3-diamine?
The InChIKey is DHTSBZWRAKUDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(2)6-10-9-5-3-4-8/h9H,1,3-6,8H2,2H3.
What are the key properties of N'-(2-methylprop-2-enoxy)propane-1,3-diamine?
N'-(2-methylprop-2-enoxy)propane-1,3-diamine has a molecular weight of 144.22 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylprop-2-enoxy)propane-1,3-diamine is sourced from PubChem (CID 122606327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).