1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine

C12H23NO2 — CID 87793323

IUPAC1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine
SMILESC=CCOC(CC)NC(CC)OCC=C
InChIInChI=1S/C12H23NO2/c1-5-9-14-11(7-3)13-12(8-4)15-10-6-2/h5-6,11-13H,1-2,7-10H2,3-4H3
InChIKeyPZLKSJLZOBMMMN-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.45
Rot. Bonds10

About 1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine

1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine (PubChem CID 87793323) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine.

Molecular Properties

Compound Name1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine
PubChem CID87793323
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine
SMILESC=CCOC(CC)NC(CC)OCC=C
InChIInChI=1S/C12H23NO2/c1-5-9-14-11(7-3)13-12(8-4)15-10-6-2/h5-6,11-13H,1-2,7-10H2,3-4H3
InChIKeyPZLKSJLZOBMMMN-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-prop-2-enoxypropan-1-amine
CID 62442088
hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
1-prop-2-enoxypropyl acetate
CID 142726831
triethoxy(1-prop-2-enoxypropyl)silane
CID 18672771
(3R)-3-methoxy-3-prop-2-enoxyprop-1-yne
CID 134840075
dimethyl-bis(1-prop-2-enoxyethyl)azanium
CID 87092032
2,5-bis(prop-2-enoxy)hex-3-yne
CID 54201306
N-prop-2-enoxypropan-2-amine
CID 20761528
N'-methyl-1-prop-2-enoxyethane-1,2-diamine
CID 174449150
CID 19895837
CID 19895837
N-ethyl-2-prop-2-enoxypentan-1-amine
CID 83045873
1-nitro-2-prop-2-enoxybutane
CID 15691478

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine?
The IUPAC name of 1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine (CID 87793323) is 1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine.
What is the SMILES notation for 1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine?
The canonical SMILES for 1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine is C=CCOC(CC)NC(CC)OCC=C.
What is the InChIKey of 1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine?
The InChIKey is PZLKSJLZOBMMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-9-14-11(7-3)13-12(8-4)15-10-6-2/h5-6,11-13H,1-2,7-10H2,3-4H3.
What are the key properties of 1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine?
1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine is sourced from PubChem (CID 87793323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).