3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine

C13H24BrNO2 — CID 88935019

IUPAC3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine
SMILESC=CCOCCN(CCCBr)CCOCC=C
InChIInChI=1S/C13H24BrNO2/c1-3-10-16-12-8-15(7-5-6-14)9-13-17-11-4-2/h3-4H,1-2,5-13H2
InChIKeyKJXVATPHBIHVDR-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.48
Rot. Bonds13

About 3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine

3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine (PubChem CID 88935019) has the molecular formula C13H24BrNO2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine
PubChem CID88935019
Molecular FormulaC13H24BrNO2
Molecular Weight306.24 g/mol
Exact Mass305.10
IUPAC Name3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine
SMILESC=CCOCCN(CCCBr)CCOCC=C
InChIInChI=1S/C13H24BrNO2/c1-3-10-16-12-8-15(7-5-6-14)9-13-17-11-4-2/h3-4H,1-2,5-13H2
InChIKeyKJXVATPHBIHVDR-UHFFFAOYSA-N
XLogP2.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate
CID 140686718
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
N-methoxy-N-methyl-2-prop-2-enoxyethanamine
CID 131107830
3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
CID 106457825
3-prop-2-enoxypropan-1-olate
CID 58860427
1-bromo-9-but-3-enoxynonane
CID 105343299
3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 103184049
Potassium allyloxide
CID 87828396
4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
CID 19068478
1-prop-2-enoxypentane;zirconium
CID 175164581
5-(2-bromoethoxy)pent-1-ene
CID 79115016
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine?
The IUPAC name of 3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine (CID 88935019) is 3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine.
What is the SMILES notation for 3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine?
The canonical SMILES for 3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine is C=CCOCCN(CCCBr)CCOCC=C.
What is the InChIKey of 3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine?
The InChIKey is KJXVATPHBIHVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2/c1-3-10-16-12-8-15(7-5-6-14)9-13-17-11-4-2/h3-4H,1-2,5-13H2.
What are the key properties of 3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine?
3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine has a molecular weight of 306.24 g/mol, XLogP of 2.48, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine is sourced from PubChem (CID 88935019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).