N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine

C11H20BrNO — CID 103991148

IUPACN-(2-bromoprop-2-enyl)-2-propyloxan-4-amine
SMILESC=C(Br)CNC1CCOC(CCC)C1
InChIInChI=1S/C11H20BrNO/c1-3-4-11-7-10(5-6-14-11)13-8-9(2)12/h10-11,13H,2-8H2,1H3
InChIKeyABDGWTQIQKIBFB-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.83
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine

N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine (PubChem CID 103991148) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-propyloxan-4-amine
PubChem CID103991148
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-(2-bromoprop-2-enyl)-2-propyloxan-4-amine
SMILESC=C(Br)CNC1CCOC(CCC)C1
InChIInChI=1S/C11H20BrNO/c1-3-4-11-7-10(5-6-14-11)13-8-9(2)12/h10-11,13H,2-8H2,1H3
InChIKeyABDGWTQIQKIBFB-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-Bromoprop-2-enoxy)ethyl]piperidine
CID 62341417
N-prop-2-enyl-2-propyloxan-4-amine
CID 64106303
2-ethyl-N-prop-2-enyloxan-4-amine
CID 64106499
2,6-dimethyl-N-prop-2-enyloxan-4-amine
CID 81850354
N-(2-bromoprop-2-enyl)-2,2-diethyloxan-4-amine
CID 83033595
N-(3-methylbut-2-enyl)-2-propyloxan-4-amine
CID 103522688
N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine
CID 103991296
N-but-3-en-2-yl-2-propyloxan-4-amine
CID 104005438
N-ethyl-1-(oxan-2-yl)but-3-en-2-amine
CID 104252035
N-ethyl-3-methyl-1-(oxan-2-yl)but-3-en-2-amine
CID 104252193
1-(oxan-2-yl)-N-propylbut-3-en-2-amine
CID 104252292
3-methyl-1-(oxan-2-yl)-N-propylbut-3-en-2-amine
CID 104252428

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine (CID 103991148) is N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine is C=C(Br)CNC1CCOC(CCC)C1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine?
The InChIKey is ABDGWTQIQKIBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-3-4-11-7-10(5-6-14-11)13-8-9(2)12/h10-11,13H,2-8H2,1H3.
What are the key properties of N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine?
N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine has a molecular weight of 262.19 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-propyloxan-4-amine is sourced from PubChem (CID 103991148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).