2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine

C13H22BrNO2 — CID 71887683

IUPAC2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(Br)CN(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C13H22BrNO2/c1-11(14)8-15(9-12-4-2-6-16-12)10-13-5-3-7-17-13/h12-13H,1-10H2
InChIKeyHVYKRPHAXAIGTP-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.56
Rot. Bonds6

About 2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine

2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 71887683) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is 2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine
PubChem CID71887683
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC Name2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(Br)CN(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C13H22BrNO2/c1-11(14)8-15(9-12-4-2-6-16-12)10-13-5-3-7-17-13/h12-13H,1-10H2
InChIKeyHVYKRPHAXAIGTP-UHFFFAOYSA-N
XLogP2.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine (CID 71887683) is 2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine is C=C(Br)CN(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is HVYKRPHAXAIGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c1-11(14)8-15(9-12-4-2-6-16-12)10-13-5-3-7-17-13/h12-13H,1-10H2.
What are the key properties of 2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine?
2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 304.23 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-bis(oxolan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 71887683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).