N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine

C8H16BrN — CID 130854891

IUPACN-(2-bromoprop-2-enyl)-N-methylbutan-2-amine
SMILESC=C(Br)CN(C)C(C)CC
InChIInChI=1S/C8H16BrN/c1-5-8(3)10(4)6-7(2)9/h8H,2,5-6H2,1,3-4H3
InChIKeyBVTCWFNPYTVQLI-UHFFFAOYSA-N
MW206.13 g/mol
LogP2.63
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine

N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine (PubChem CID 130854891) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N-methylbutan-2-amine
PubChem CID130854891
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC NameN-(2-bromoprop-2-enyl)-N-methylbutan-2-amine
SMILESC=C(Br)CN(C)C(C)CC
InChIInChI=1S/C8H16BrN/c1-5-8(3)10(4)6-7(2)9/h8H,2,5-6H2,1,3-4H3
InChIKeyBVTCWFNPYTVQLI-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[butan-2-yl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745676
1-[butan-2-yl(methyl)amino]butan-2-one
CID 62039500
1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one
CID 79395639
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
4-bromo-N,N-dimethylpent-4-en-2-amine
CID 146393047
2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide
CID 43272969
2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol
CID 115772235
N-methyl-N-prop-2-ynylbutan-2-amine
CID 3072560
(2S)-N-methyl-N-prop-2-ynylbutan-2-amine
CID 15688751
2-bromoprop-2-enyl(methyl)carbamic acid
CID 118140794
1-N'-butan-2-yl-1-N,1-N'-dimethyl-1-N-propan-2-ylethene-1,1-diamine
CID 170109208
N-methyl-N-prop-2-ynylbutan-2-amine;hydrochloride
CID 3072559

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine (CID 130854891) is N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine is C=C(Br)CN(C)C(C)CC.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine?
The InChIKey is BVTCWFNPYTVQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN/c1-5-8(3)10(4)6-7(2)9/h8H,2,5-6H2,1,3-4H3.
What are the key properties of N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine?
N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine has a molecular weight of 206.13 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine is sourced from PubChem (CID 130854891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).