N,N-dimethyl-3-prop-2-enoxypropan-1-amine

C8H17NO — CID 22650008

IUPACN,N-dimethyl-3-prop-2-enoxypropan-1-amine
SMILESC=CCOCCCN(C)C
InChIInChI=1S/C8H17NO/c1-4-7-10-8-5-6-9(2)3/h4H,1,5-8H2,2-3H3
InChIKeyISMYXPPKDMPBDW-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.14
Rot. Bonds6

About N,N-dimethyl-3-prop-2-enoxypropan-1-amine

N,N-dimethyl-3-prop-2-enoxypropan-1-amine (PubChem CID 22650008) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N,N-dimethyl-3-prop-2-enoxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-prop-2-enoxypropan-1-amine
PubChem CID22650008
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN,N-dimethyl-3-prop-2-enoxypropan-1-amine
SMILESC=CCOCCCN(C)C
InChIInChI=1S/C8H17NO/c1-4-7-10-8-5-6-9(2)3/h4H,1,5-8H2,2-3H3
InChIKeyISMYXPPKDMPBDW-UHFFFAOYSA-N
XLogP1.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-prop-2-enoxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-prop-2-enoxypropan-1-amine (CID 22650008) is N,N-dimethyl-3-prop-2-enoxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-prop-2-enoxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-prop-2-enoxypropan-1-amine is C=CCOCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-prop-2-enoxypropan-1-amine?
The InChIKey is ISMYXPPKDMPBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7-10-8-5-6-9(2)3/h4H,1,5-8H2,2-3H3.
What are the key properties of N,N-dimethyl-3-prop-2-enoxypropan-1-amine?
N,N-dimethyl-3-prop-2-enoxypropan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-prop-2-enoxypropan-1-amine is sourced from PubChem (CID 22650008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).