1,2-bis(prop-2-enoxy)propan-1-amine

C9H17NO2 — CID 88546500

IUPAC1,2-bis(prop-2-enoxy)propan-1-amine
SMILESC=CCOC(C)C(N)OCC=C
InChIInChI=1S/C9H17NO2/c1-4-6-11-8(3)9(10)12-7-5-2/h4-5,8-9H,1-2,6-7,10H2,3H3
InChIKeySTUNHOOGDHJENA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.06
Rot. Bonds7

About 1,2-bis(prop-2-enoxy)propan-1-amine

1,2-bis(prop-2-enoxy)propan-1-amine (PubChem CID 88546500) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1,2-bis(prop-2-enoxy)propan-1-amine.

Molecular Properties

Compound Name1,2-bis(prop-2-enoxy)propan-1-amine
PubChem CID88546500
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1,2-bis(prop-2-enoxy)propan-1-amine
SMILESC=CCOC(C)C(N)OCC=C
InChIInChI=1S/C9H17NO2/c1-4-6-11-8(3)9(10)12-7-5-2/h4-5,8-9H,1-2,6-7,10H2,3H3
InChIKeySTUNHOOGDHJENA-UHFFFAOYSA-N
XLogP1.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.06
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

3-prop-2-enoxybutane-1,2-diol
CID 14859753
(2S)-2-prop-2-enoxypropan-1-amine
CID 55273879
hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
(E)-2-prop-2-enoxyhex-4-en-3-ol
CID 89174022
3-methyl-2-prop-2-enoxybutan-1-amine
CID 14954769
2,5-bis(prop-2-enoxy)hex-3-yne
CID 54201306
dimethyl-bis(1-prop-2-enoxyethyl)azanium
CID 87092032
N'-methyl-1-prop-2-enoxyethane-1,2-diamine
CID 174449150
3,3-dimethylhex-5-en-2-amine
CID 130019272
prop-2-enyl 2-aminopropanoate
CID 91515395
ethyl (2S)-2-prop-2-enoxypropanoate
CID 14743303
prop-2-enyl (2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 124630010

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-enoxy)propan-1-amine?
The IUPAC name of 1,2-bis(prop-2-enoxy)propan-1-amine (CID 88546500) is 1,2-bis(prop-2-enoxy)propan-1-amine.
What is the SMILES notation for 1,2-bis(prop-2-enoxy)propan-1-amine?
The canonical SMILES for 1,2-bis(prop-2-enoxy)propan-1-amine is C=CCOC(C)C(N)OCC=C.
What is the InChIKey of 1,2-bis(prop-2-enoxy)propan-1-amine?
The InChIKey is STUNHOOGDHJENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-11-8(3)9(10)12-7-5-2/h4-5,8-9H,1-2,6-7,10H2,3H3.
What are the key properties of 1,2-bis(prop-2-enoxy)propan-1-amine?
1,2-bis(prop-2-enoxy)propan-1-amine has a molecular weight of 171.24 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enoxy)propan-1-amine is sourced from PubChem (CID 88546500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).