N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine

C11H21BrClN — CID 106440025

IUPACN-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine
SMILESCCC(CC)N(CCBr)CC(C)=CCl
InChIInChI=1S/C11H21BrClN/c1-4-11(5-2)14(7-6-12)9-10(3)8-13/h8,11H,4-7,9H2,1-3H3
InChIKeyLAYGMWJLZXUCSY-UHFFFAOYSA-N
MW282.65 g/mol
LogP4.01
Rot. Bonds7

About N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine

N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine (PubChem CID 106440025) has the molecular formula C11H21BrClN and a molecular weight of 282.65 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine
PubChem CID106440025
Molecular FormulaC11H21BrClN
Molecular Weight282.65 g/mol
Exact Mass281.05
IUPAC NameN-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine
SMILESCCC(CC)N(CCBr)CC(C)=CCl
InChIInChI=1S/C11H21BrClN/c1-4-11(5-2)14(7-6-12)9-10(3)8-13/h8,11H,4-7,9H2,1-3H3
InChIKeyLAYGMWJLZXUCSY-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-(3-methylbutyl)pentan-3-amine
CID 80691707
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 80691309
N-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine
CID 21159426
N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine
CID 83168231
(E)-4-[2-methoxyethyl(pentan-3-yl)amino]-3-methylbut-2-enoic acid
CID 55236913
N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine
CID 106457771
N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine
CID 80691017
N-benzyl-N-(2-bromoethyl)pentan-3-amine
CID 80680386
1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine
CID 153424545
2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol
CID 103067751
N-(2-bromoethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 80690180
N-(2-bromoethyl)-N-[(2-chloro-3-fluorophenyl)methyl]pentan-3-amine
CID 112654428

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine?
The IUPAC name of N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine (CID 106440025) is N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine is CCC(CC)N(CCBr)CC(C)=CCl.
What is the InChIKey of N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine?
The InChIKey is LAYGMWJLZXUCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrClN/c1-4-11(5-2)14(7-6-12)9-10(3)8-13/h8,11H,4-7,9H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine?
N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine has a molecular weight of 282.65 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine is sourced from PubChem (CID 106440025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).